Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70205924

Structure

InChI Key MEBZVMXZXFKHJS-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCC(=O)N(CC)CC
InChI
InChI=1S/C20H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(5-2)6-3/h4-19H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H41N1O1
Molecular Weight 311.32
AlogP 6.34
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 20.31
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 57303-21-6
NORMAN SUSDAT
PubChem 93626
ChemSpider 84517.0