Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10983739

Structure

InChI Key LQIWJZRUBHDHFH-UHFFFAOYSA-N
Smiles O=C(OCCN(C)C)CCCCC(=O)OCCN(C)C
InChI
InChI=1/C14H28N2O4/c1-15(2)9-11-19-13(17)7-5-6-8-14(18)20-12-10-16(3)4/h5-12H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28N2O4
Molecular Weight 288.2
AlogP 0.76
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 11.0
Polar Surface Area 59.08
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 65169-69-9
NORMAN SUSDAT
PubChem 3017571