Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90927590

Structure

InChI Key XZVMGPSLFYINSC-UHFFFAOYSA-N
Smiles O=C(NCCCCCCNC(=O)C(CC)CCCC)C(CC)CCCC
InChI
InChI=1/C22H44N2O2/c1-5-9-15-19(7-3)21(25)23-17-13-11-12-14-18-24-22(26)20(8-4)16-10-6-2/h19-20H,5-18H2,1-4H3,(H,23,25)(H,24,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H44N2O2
Molecular Weight 368.34
AlogP 6.89
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 17.0
Polar Surface Area 65.18
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 13222-16-7
NORMAN SUSDAT
PubChem 114477