Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P7MDS492AC
EPA CompTox DTXSID30165979

Structure

InChI Key YDUHWSSRUBOPKZ-UHFFFAOYSA-N
Smiles CCN(CC)CCOC(=O)N(c1ccccc1)c2ccccc2
InChI
InChI=1S/C19H24N2O2/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N2O2
Molecular Weight 312.18
AlogP 4.3
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 32.78
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 15585-88-3
NORMAN SUSDAT
FDA SRS P7MDS492AC