OCTADECANAMIDE, N-(2-HYDROXYPROPYL)-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q84KX8V2J7
EPA CompTox DTXSID90885626

Structure

InChI Key QCTVGFNUKWXQNN-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCC(=O)NCC(C)O
InChI
InChI=1S/C21H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h20,23H,3-19H2,1-2H3,(H,22,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H43N1O2
Molecular Weight 341.33
AlogP 6.59
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 18.0
Polar Surface Area 52.82
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 35627-96-4
NORMAN SUSDAT
FDA SRS Q84KX8V2J7
PubChem 118247
ChemSpider 105678.0
CONTENTS