69938728
  -OEChem-05112419242D

 65 65  0     1  0  0  0  0  0999 V2000
    6.8671   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0010   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9885    2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1225    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    4.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546    3.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5432    3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417    4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191    5.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    5.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4092    5.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8078    5.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8172    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5772    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -3.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -3.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -7.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -6.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
 20  2  1  1  0  0  0
  2 65  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  3 55  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  9  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 11  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 12  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 13  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 14  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 15  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
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 14 48  1  0  0  0  0
 15 17  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 20 54  1  0  0  0  0
 21 24  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 25  1  0  0  0  0
 22 58  1  0  0  0  0
 23 26  1  0  0  0  0
 23 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 26  2  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69938728

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
345

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
15

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADByhmAIywILAAgCIAiVSUACCAAAhAgAIiAEAbIgINjLAkZGEcAhm1AHI2AeYyKCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[(1S)-1-hydroxypropyl]phenyl]tetradecanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[(1S)-1-hydroxypropyl]phenyl]tetradecanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[(1<I>S</I>)-1-hydroxypropyl]phenyl]tetradecanamide

> <PUBCHEM_IUPAC_NAME>
N-[2-[(1S)-1-hydroxypropyl]phenyl]tetradecanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[(1S)-1-oxidanylpropyl]phenyl]tetradecanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[(1S)-1-hydroxypropyl]phenyl]myristamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-19-23(26)24-21-18-16-15-17-20(21)22(25)4-2/h15-18,22,25H,3-14,19H2,1-2H3,(H,24,26)/t22-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FIZOIQPOCLBBMB-QFIPXVFZSA-N

> <PUBCHEM_XLOGP3_AA>
7.9

> <PUBCHEM_EXACT_MASS>
361.298079487

> <PUBCHEM_MOLECULAR_FORMULA>
C23H39NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
361.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCC(=O)NC1=CC=CC=C1C(CC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCC(=O)NC1=CC=CC=C1[C@H](CC)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
361.298079487

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
18  19  8
18  22  8
19  23  8
20  2  5
22  25  8
23  26  8
25  26  8

$$$$