Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X416815A1X

Structure

InChI Key OVJJILSKYWXGBM-UHFFFAOYSA-N
Smiles CC(C)CCOC(=O)C(N)c1ccccc1
InChI
InChI=1S/C13H19NO2/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19N1O2
Molecular Weight 221.14
AlogP 2.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 52.32
Heavy Atoms 16.0

Cross References

Resources Reference
NORMAN SUSDAT
FDA SRS X416815A1X
PubChem 35719
ChemSpider 32857.0