Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 34X5N26D6N
EPA CompTox DTXSID40233850

Structure

InChI Key ILIRVVGOYSSENU-UHFFFAOYSA-N
Smiles CCCCCCCCCCCC(=O)N(C)CCN(C)C
InChI
InChI=1S/C17H36N2O/c1-5-6-7-8-9-10-11-12-13-14-17(20)19(4)16-15-18(2)3/h5-16H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H36N2O1
Molecular Weight 284.28
AlogP 3.93
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 23.55
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 84803-69-0
NORMAN SUSDAT
FDA SRS 34X5N26D6N
PubChem 3020140
ChemSpider 2287119.0