Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F5D4UB463J
EPA CompTox DTXSID4069181

Structure

InChI Key SPFIEWHOPDAJLI-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCC(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C22H45NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23(20(2)3)21(4)5/h20-21H,6-19H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H45N1O1
Molecular Weight 339.35
AlogP 7.11
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 20.31
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 57413-34-0
NORMAN SUSDAT
FDA SRS F5D4UB463J
PubChem 93664
ChemSpider 84547.0