Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EGL7GJH8HR
EPA CompTox DTXSID10239167

Structure

InChI Key YSCCFYUEQXOKHY-UHFFFAOYSA-N
Smiles CCC1(CC)C(=O)NC(=O)N(Cc2ccccc2)C1=O
InChI
InChI=1S/C15H18N2O3/c1-3-15(4-2)12(18)16-14(20)17(13(15)19)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,18,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18N2O3
Molecular Weight 274.13
AlogP 2.91
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 69.97
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 92870-36-5
NORMAN SUSDAT
FDA SRS EGL7GJH8HR
PubChem 2054534
ChemSpider 1548648.0