68801490
  -OEChem-05132410062D

 33 34  0     0  0  0  0  0  0999 V2000
    6.0010   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    1.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4 12  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  2  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 14  2  0  0  0  0
 10 23  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68801490

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
274

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAiBmAAwwILAAACIAiVSUACCAAAhAgAIiAEAdIgIYDLAlZGUIAhglADIyAcYiICOCAAAAAAAACAQAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-aminophenyl)-2-(4-aminophenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-aminophenyl)-2-(4-aminophenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-aminophenyl)-2-(4-aminophenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(2-aminophenyl)-2-(4-aminophenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-aminophenyl)-2-(4-aminophenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-aminophenyl)-2-(4-aminophenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15N3O/c15-11-7-5-10(6-8-11)9-14(18)17-13-4-2-1-3-12(13)16/h1-8H,9,15-16H2,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
LUOZAFQFIQQELP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
241.121512110

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
241.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)N)NC(=O)CC2=CC=C(C=C2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)N)NC(=O)CC2=CC=C(C=C2)N

> <PUBCHEM_CACTVS_TPSA>
81.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
241.121512110

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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  14  8
11  16  8
12  13  8
12  14  8
15  17  8
16  18  8
17  18  8
6  10  8
6  9  8
8  11  8
8  15  8
9  13  8

$$$$