Mrv0541 05061306282D          

 20 19  0  0  0  0            999 V2000
    4.7759    3.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4176    3.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8291    4.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991    3.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2407    4.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0106    4.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6522    4.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4222    4.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0638    4.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8337    4.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8869    5.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3736    3.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6568    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1435    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4753    4.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2453    4.6837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2984    5.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2718    2.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3470    5.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  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
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
M  END
> <DATABASE_ID>
FDB009690

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3

> <INCHI_KEY>
AOMUHOFOVNGZAN-UHFFFAOYSA-N

> <FORMULA>
C16H33NO3

> <MOLECULAR_WEIGHT>
287.4381

> <EXACT_MASS>
287.246043927

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
36.16423084716993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N,N-bis(2-hydroxyethyl)dodecanamide

> <ALOGPS_LOGP>
3.67

> <JCHEM_LOGP>
2.7385136113333335

> <ALOGPS_LOGS>
-3.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.875367781557003

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.27309555855313

> <JCHEM_PKA_STRONGEST_BASIC>
-0.06372770374714187

> <JCHEM_POLAR_SURFACE_AREA>
60.77

> <JCHEM_REFRACTIVITY>
82.87979999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.25e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N,N-bis(2-hydroxyethyl)dodecanamide

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB009690

> <GENERIC_NAME>
Lauroyl diethanolamide

$$$$