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

Structure

InChI Key QYANHRRURYBYLY-DYYZXQNHSA-N
Smiles O=C(NCCCCC(N)C(=O)O)CCCCCCCC=CCCCCCCCC
InChI
InChI=1/C24H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29/h9-10,22H,2-8,11-21,25H2,1H3,(H,26,27)(H,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H46N2O3
Molecular Weight 410.35
AlogP 6.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 21.0
Polar Surface Area 95.91
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 23499-75-4
NORMAN SUSDAT
PubChem 6436547