45482343
  -OEChem-05132406532D

 71 70  0     0  0  0  0  0  0999 V2000
   10.6603    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 N   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
   15.8564    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    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
   18.4545   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3205    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.1865   -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
   21.0526    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
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    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5919   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0560   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6569   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5851   -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
   21.4511    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6540    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
   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
   23.0946   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3215    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4746    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5947    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8700    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
    4.1996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  1 20  2  0  0  0  0
  2 21  2  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 25  2  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 62  1  0  0  0  0
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 25 26  1  0  0  0  0
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 28 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
45482343

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
409

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
21

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACAThgAYCAALABAAIAIEQEAIAAAAAAAAAAIHIAAAAABIAgCQGAAAEFgCAAAGcmIKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(5-ethoxy-4-oxo-pentyl)-2-oxo-hexadecanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(5-ethoxy-4-oxopentyl)-2-oxohexadecanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(5-ethoxy-4-oxopentyl)-2-oxohexadecanamide

> <PUBCHEM_IUPAC_NAME>
N-(5-ethoxy-4-oxopentyl)-2-oxohexadecanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(5-ethoxy-4-oxidanylidene-pentyl)-2-oxidanylidene-hexadecanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(5-ethoxy-4-keto-pentyl)-2-keto-palmitamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H43NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22(26)23(27)24-19-16-17-21(25)20-28-4-2/h3-20H2,1-2H3,(H,24,27)

> <PUBCHEM_IUPAC_INCHIKEY>
PGHVBLIRCHESKV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.5

> <PUBCHEM_EXACT_MASS>
397.31920885

> <PUBCHEM_MOLECULAR_FORMULA>
C23H43NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
397.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)COCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)COCC

> <PUBCHEM_CACTVS_TPSA>
72.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
397.31920885

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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

$$$$