Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FD6L8T043R
EPA CompTox DTXSID10887263

Structure

InChI Key DQAHCWJRTIMIAN-UHFFFAOYSA-N
Smiles O=C1N(C(=O)C(N1CC2OC2)(CC)CC(C)CC)CC3OC3
InChI
InChI=1/C16H26N2O4/c1-4-11(3)6-16(5-2)14(19)17(7-12-9-21-12)15(20)18(16)8-13-10-22-13/h11-13H,4-10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26N2O4
Molecular Weight 310.19
AlogP 1.63
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 65.68
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 68444-05-3
NORMAN SUSDAT
FDA SRS FD6L8T043R
PubChem 92378