Mrv1572004221607002D          

 21 21  0  0  0  0            999 V2000
   -2.4135    4.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473    3.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7976    1.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6372    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    3.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971    3.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971    0.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3672    2.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9073    0.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773    2.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0632    2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2870    3.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8271    1.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473    1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0169    1.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231    1.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.3738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2531    2.6211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2531    0.4384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575    1.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 12  1  0  0  0  0
 19 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21  3  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020755

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCN(CCCC)C(C(O)=N)C1=CC=C(OC)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H28N2O2/c1-4-6-12-19(13-7-5-2)16(17(18)20)14-8-10-15(21-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H2,18,20)

> <INCHI_KEY>
WUSAVCGXMSWMQM-UHFFFAOYSA-N

> <FORMULA>
C17H28N2O2

> <MOLECULAR_WEIGHT>
292.423

> <EXACT_MASS>
292.21507815

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
34.15311769693156

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(dibutylamino)-2-(4-methoxyphenyl)ethanimidic acid

> <ALOGPS_LOGP>
3.23

> <JCHEM_LOGP>
1.4611619721329614

> <ALOGPS_LOGS>
-3.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.7066927382152075

> <JCHEM_PKA_STRONGEST_BASIC>
13.111968434785567

> <JCHEM_POLAR_SURFACE_AREA>
56.55000000000001

> <JCHEM_REFRACTIVITY>
97.3998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.04e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ambucetamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Ambucetamide

> <CAS>
519-88-0

$$$$