N-(3-(2-(4,4-DIMETHYL-2,5-DIOXO-IMIDAZOLIN-1-YL)-4,4-DIMETHYL-3-OXO-PENTANOYLAMINO)-4-METHOXY-PHENYL)-OCTADECANAMIDE

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

Structure

InChI Key JDIUCAYZFZBZRQ-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)c(NC(=O)C(N2C(=O)NC(C)(C)C2=O)C(=O)C(C)(C)C)c1
InChI
InChI=1S/C37H60N4O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(42)38-27-24-25-29(47-7)28(26-27)39-33(44)31(32(43)36(2,3)4)41-34(45)37(5,6)40-35(41)46/h24-26,31H,8-23H2,1-7H3,(H,38,42)(H,39,44)(H,40,46)

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H60N4O6
Molecular Weight 656.45
AlogP 9.65
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 22.0
Polar Surface Area 144.38
Heavy Atoms 47.0

Cross References

Resources Reference
CAS NUMBER 150919-56-5
NORMAN SUSDAT
PubChem 21344531
CONTENTS