8044
  -OEChem-05092411062D

118117  0     0  0  0  0  0  0999 V2000
   21.0526    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.9808    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8468   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1147   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7128    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2487    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5788   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3827   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4449    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5167    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3109   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6506   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1769    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7846    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0429   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9090    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7750   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3793    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5822    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4483   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2453   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7162   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5133   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.1113    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3143    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6472    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8502    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.1803   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7976    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9842   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7812   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.8434    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.0463    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7287   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9152    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   23.2521   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.5201   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3171   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   35.4650   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.3119   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.0850    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7190    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9220    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0560   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8530   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  2  0  0  0  0
  2 38  2  0  0  0  0
  3 37  1  0  0  0  0
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 17 21  1  0  0  0  0
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 35104  1  0  0  0  0
 36 40  1  0  0  0  0
 36105  1  0  0  0  0
 36106  1  0  0  0  0
 39107  1  0  0  0  0
 39108  1  0  0  0  0
 39109  1  0  0  0  0
 40110  1  0  0  0  0
 40111  1  0  0  0  0
 40112  1  0  0  0  0
 41 42  1  0  0  0  0
 41113  1  0  0  0  0
 41114  1  0  0  0  0
 42115  1  0  0  0  0
 42116  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8044

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
503

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
35

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACADBgAQCAALAAAAIAAEQEAAAAAAAAAAAAIEIAAAAQBIAgAAUAAAAFgCAAAEYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(octadecanoylamino)ethyl]octadecanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(1-oxooctadecylamino)ethyl]octadecanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(octadecanoylamino)ethyl]octadecanamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(octadecanoylamino)ethyl]octadecanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(octadecanoylamino)ethyl]octadecanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-stearamidoethyl)stearamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C38H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,41)(H,40,42)

> <PUBCHEM_IUPAC_INCHIKEY>
RKISUIUJZGSLEV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
15.7

> <PUBCHEM_EXACT_MASS>
592.59067967

> <PUBCHEM_MOLECULAR_FORMULA>
C38H76N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
593.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
592.59067967

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
42

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$