Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U09698V56W
EPA CompTox DTXSID80190155

Structure

InChI Key STHAHFPLLHRRRO-UHFFFAOYSA-N
Smiles CCCOc1ccc(cc1)C(=O)CCN1CCCCC1
InChI
InChI=1S/C17H25NO2/c1-2-14-20-16-8-6-15(7-9-16)17(19)10-13-18-11-4-3-5-12-18/h6-9H,2-5,10-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25N1O2
Molecular Weight 275.19
AlogP 3.53
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 29.54
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 3670-68-6
NORMAN SUSDAT
FDA SRS U09698V56W
PubChem 70864
ChemSpider 64027.0