61510393
  -OEChem-05072409462D

 50 50  0     1  0  0  0  0  0999 V2000
    6.8671   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.2500    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
    8.5991    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112    2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    4.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    3.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0851    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8451    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 16  1  0  0  0  0
  2 50  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 42  1  0  0  0  0
 17 20  1  0  0  0  0
 17 43  1  0  0  0  0
 18 21  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  2  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61510393

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
280

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADByhmAIywILAAgCIAiVSUACCAAAhAgAIiAEAbIgINjLAkZGEcAhm1AHI2AeYyKCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(1-hydroxyethyl)phenyl]decanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(1-hydroxyethyl)phenyl]decanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(1-hydroxyethyl)phenyl]decanamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(1-hydroxyethyl)phenyl]decanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(1-hydroxyethyl)phenyl]decanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(1-hydroxyethyl)phenyl]capramide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H29NO2/c1-3-4-5-6-7-8-9-14-18(21)19-17-13-11-10-12-16(17)15(2)20/h10-13,15,20H,3-9,14H2,1-2H3,(H,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
SAQKRRRFTOYOLZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
291.219829168

> <PUBCHEM_MOLECULAR_FORMULA>
C18H29NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
291.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCC(=O)NC1=CC=CC=C1C(C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCC(=O)NC1=CC=CC=C1C(C)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.219829168

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
14  15  8
14  17  8
15  18  8
17  20  8
18  21  8
16  2  3
20  21  8

$$$$