Mrv1652306031606252D          

 32 34  0  0  0  0            999 V2000
   10.8572   -4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974   -0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2697   -3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4131   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5072    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4131   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6987   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6822    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9197   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5539   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395   -1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6987   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9842   -3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2697   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5072   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684   -1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263   -1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5539   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9842   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6822   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552   -1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2697   -2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6974   -1.6204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8408   -2.0329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552   -0.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572   -2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  2  0  0  0  0
 21 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 14  2  0  0  0  0
 24 15  1  0  0  0  0
 24 20  1  0  0  0  0
 25 16  2  0  0  0  0
 25 17  1  0  0  0  0
 26 18  2  0  0  0  0
 26 19  1  0  0  0  0
 28 25  1  0  0  0  0
 28 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29  2  1  0  0  0  0
 29 21  1  0  0  0  0
 29 22  1  0  0  0  0
 30  3  1  0  0  0  0
 30 23  1  0  0  0  0
 30 27  1  0  0  0  0
 31 27  2  0  0  0  0
 32  4  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM042920

> <DATABASE_NAME>
chemdb

> <SMILES>
CCOC(C(=O)N(C)CCN(C)CCC1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C28H34N2O2/c1-4-32-28(25-16-10-6-11-17-25,26-18-12-7-13-19-26)27(31)30(3)23-22-29(2)21-20-24-14-8-5-9-15-24/h5-19H,4,20-23H2,1-3H3

> <INCHI_KEY>
NQIZDFMZAXUZCZ-UHFFFAOYSA-N

> <FORMULA>
C28H34N2O2

> <MOLECULAR_WEIGHT>
430.592

> <EXACT_MASS>
430.262028343

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
49.86379752819699

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-ethoxy-N-methyl-N-{2-[methyl(2-phenylethyl)amino]ethyl}-2,2-diphenylacetamide

> <ALOGPS_LOGP>
4.61

> <JCHEM_LOGP>
5.229669908666667

> <ALOGPS_LOGS>
-5.47

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.490745871046144

> <JCHEM_POLAR_SURFACE_AREA>
32.78

> <JCHEM_REFRACTIVITY>
131.98420000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.47e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbiphene

> <JCHEM_VEBER_RULE>
0

> <NAME>
carbiphene

> <CAS>
15687-16-8

$$$$