Mrv1572004221604262D          

 18 17  0  0  0  0            999 V2000
    6.3709   -3.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2517   -4.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7384   -3.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4818   -4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9685   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7824   -3.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4241   -3.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1940   -3.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8356   -4.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6055   -3.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2472   -4.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0171   -3.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6587   -4.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4286   -4.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0703   -4.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8402   -4.3873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9419   -5.4986    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  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 17  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM018011

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCC(=O)N(CC)CC

> <INCHI_IDENTIFIER>
InChI=1S/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3

> <INCHI_KEY>
CWNSVVHTTQBGQB-UHFFFAOYSA-N

> <FORMULA>
C16H33NO

> <MOLECULAR_WEIGHT>
255.446

> <EXACT_MASS>
255.256214687

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
34.23438762990557

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N,N-diethyldodecanamide

> <ALOGPS_LOGP>
5.81

> <JCHEM_LOGP>
4.8323335446666675

> <ALOGPS_LOGS>
-5.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.878087057239273

> <JCHEM_POLAR_SURFACE_AREA>
20.310000000000002

> <JCHEM_REFRACTIVITY>
79.79239999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.88e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dodecanamide, N,N-diethyl-

> <JCHEM_VEBER_RULE>
0

> <NAME>
N,N-Diethyldodecanamide

> <CAS>
3352-87-2

$$$$