Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GH09PRQ3FU
EPA CompTox DTXSID90186165

Structure

InChI Key WWGZXRYELYWJBD-UHFFFAOYSA-N
Smiles CCCCN(CCN(CC)CC)C(=O)c1c2ccccc2ccc1
InChI
InChI=1S/C21H30N2O/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20/h8-14H,4-7,15-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30N2O1
Molecular Weight 326.24
AlogP 4.42
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 23.55
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 32421-46-8
NORMAN SUSDAT
FDA SRS GH09PRQ3FU
PubChem 36131
ChemSpider 33233.0