61090780
  -OEChem-05052403492D

 38 39  0     0  0  0  0  0  0999 V2000
    2.8660   -0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.0850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    1.5231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    2.5969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.9031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 23  1  0  0  0  0
  4 17  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  1  0  0  0  0
 10 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61090780

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
322

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAyBmAIyxoLABACIAiVSUACCCAAlIgAIiAEGbMgMJjbEtZuEMWhm9BHI6Ye8yKCOAEAAQAAKAAAAgACAABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-amino-N-(2-ethylphenyl)-2-methoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-amino-N-(2-ethylphenyl)-2-methoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-amino-<I>N</I>-(2-ethylphenyl)-2-methoxybenzamide

> <PUBCHEM_IUPAC_NAME>
5-amino-N-(2-ethylphenyl)-2-methoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-azanyl-N-(2-ethylphenyl)-2-methoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-amino-N-(2-ethylphenyl)-2-methoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H18N2O2/c1-3-11-6-4-5-7-14(11)18-16(19)13-10-12(17)8-9-15(13)20-2/h4-10H,3,17H2,1-2H3,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
PMMOOGCUONYVJN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
270.136827821

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
270.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)N)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)N)OC

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.136827821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
13  18  8
14  16  8
15  17  8
17  19  8
18  19  8
5  6  8
5  9  8
6  10  8
8  13  8
8  15  8
9  14  8

$$$$