68538764
  -OEChem-04192400352D

 34 35  0     0  0  0  0  0  0999 V2000
    4.5981   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    2.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    1.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 16  1  0  0  0  0
  2 34  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  2  3  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 20  1  0  0  0  0
  9 14  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 17  1  0  0  0  0
 12 27  1  0  0  0  0
 13 18  2  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68538764

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
324

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADAyBmAAyxoLAAgCIAiVSUACCAAAhIgAIiAEGbMgIJiLCkZOEcAhk1BHI2YewwAAOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-hydroxyphenyl)-2-methyl-3-phenyl-prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-hydroxyphenyl)-2-methyl-3-phenyl-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-hydroxyphenyl)-2-methyl-3-phenylprop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-(4-hydroxyphenyl)-2-methyl-3-phenylprop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-hydroxyphenyl)-2-methyl-3-phenyl-prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-hydroxyphenyl)-2-methyl-3-phenyl-acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15NO2/c1-12(11-13-5-3-2-4-6-13)16(19)17-14-7-9-15(18)10-8-14/h2-11,18H,1H3,(H,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
RTEUDKOZGOXXHA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.9

> <PUBCHEM_EXACT_MASS>
253.110278721

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
253.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
253.110278721

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
12  17  8
13  18  8
14  16  8
15  16  8
17  19  8
18  19  8
4  7  1
5  10  8
5  9  8
6  12  8
6  13  8
9  14  8

$$$$