Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7071444

Structure

InChI Key MOXXEYNPPNSCTN-UHFFFAOYSA-N
Smiles CC(C)(C)c1ccc(cc1)C(=O)N(CCO)CCO
InChI
InChI=1S/C15H23NO3/c1-15(2,3)13-6-4-12(5-7-13)14(19)16(8-10-17)9-11-18/h4-7,17-18H,8-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23N1O3
Molecular Weight 265.17
AlogP 1.41
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 60.77
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 68368-33-2
NORMAN SUSDAT
PubChem 110070
ChemSpider 86064.0