Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J1WMF6T49T
EPA CompTox DTXSID80186614

Structure

InChI Key DIVMORBOGQJESX-UHFFFAOYSA-N
Smiles CCCCCCCCCCC(=O)N1CCOCC1
InChI
InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-15(17)16-11-13-18-14-12-16/h2-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H29N1O2
Molecular Weight 255.22
AlogP 3.38
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 29.54
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 32972-24-0
NORMAN SUSDAT
FDA SRS J1WMF6T49T
PubChem 98730
ChemSpider 89171.0