45877648
  -OEChem-05132409272D

 40 41  0     0  0  0  0  0  0999 V2000
    8.5991    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7500    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
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7500    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
    6.8671   -2.7500    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
    7.7331    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 12  2  0  0  0  0
  3 18  2  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  5 18  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 18  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  2  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 16 30  1  0  0  0  0
 17 20  1  0  0  0  0
 17 31  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
45877648

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
386

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAyhmAIyxoLABACIAiVSUACCCAAlIgAIiAEGbMgMJjbEtZuGOWjm9BHI6YecyKCOAAAAAAAKAAAAAAAAABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(2-amino-2-oxo-ethyl)phenyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(2-amino-2-oxoethyl)phenyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(2-amino-2-oxoethyl)phenyl]-2-ethoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(2-amino-2-keto-ethyl)phenyl]-2-ethoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H18N2O3/c1-2-22-15-10-6-4-8-13(15)17(21)19-14-9-5-3-7-12(14)11-16(18)20/h3-10H,2,11H2,1H3,(H2,18,20)(H,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
BBCNVABHXFHIDK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
298.13174244

> <PUBCHEM_MOLECULAR_FORMULA>
C17H18N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
298.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2CC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2CC(=O)N

> <PUBCHEM_CACTVS_TPSA>
81.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.13174244

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  15  8
13  17  8
14  15  8
16  19  8
17  20  8
19  20  8
6  10  8
6  7  8
7  11  8
9  13  8
9  16  8

$$$$