Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 348T592NAL
EPA CompTox DTXSID30146344

Structure

InChI Key WVWNBANESWUIBO-UHFFFAOYSA-N
Smiles NC(=O)C1(CCN(Cc2ccccc2)CC1)NC1CCCCC1
InChI
InChI=1S/C19H29N3O/c20-18(23)19(21-17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,17,21H,2,5-6,9-15H2,(H2,20,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H29N3O1
Molecular Weight 315.23
AlogP 3.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 59.35
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 1042-35-9
NORMAN SUSDAT
FDA SRS 348T592NAL
PubChem 70584
ChemSpider 63753.0