Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0074897

Structure

InChI Key RGAMPJYGTCSRAG-UHFFFAOYSA-N
Smiles CCN(CC)CCOC(=O)CCCCC(=O)OCCN(CC)CC
InChI
InChI=1S/C18H36N2O4/c1-5-19(6-2)13-15-23-17(21)11-9-10-12-18(22)24-16-14-20(7-3)8-4/h5-16H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H36N2O4
Molecular Weight 344.27
AlogP 2.32
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 15.0
Polar Surface Area 59.08
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 16545-00-9
NORMAN SUSDAT
PubChem 85487
ChemSpider 77097.0