Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00885536

Structure

InChI Key OQAPYXJOOYQXDV-UHFFFAOYSA-N
Smiles O=C1N(C(=O)C(N1CC2OC2)(C)C)CC(OCC3OC3)C
InChI
InChI=1/C14H22N2O5/c1-9(19-7-11-8-21-11)4-15-12(17)14(2,3)16(13(15)18)5-10-6-20-10/h9-11H,4-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22N2O5
Molecular Weight 298.15
AlogP 0.23
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 74.91
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 32568-89-1
NORMAN SUSDAT
PubChem 61911