N-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]OCTADECENAMIDE

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

Structure

InChI Key UJAJTVMCLPKTRI-UHFFFAOYSA-N
Smiles O=C(NCCNCCO)C=CCCCCCCCCCCCCCCC
InChI
InChI=1/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h16-17,23,25H,2-15,18-21H2,1H3,(H,24,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H44N2O2
Molecular Weight 368.34
AlogP 5.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 20.0
Polar Surface Area 64.85
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 50857-44-8
NORMAN SUSDAT
CONTENTS