N'-cyclooctyl-N-(4-hydroxybutyl)butanediamide

• ChemBase ID: 326230
• Molecular Formular: C16H30N2O3
• Molecular Mass: 298.421
• Monoisotopic Mass: 298.22564283
• SMILES: C(=O)(NC1CCCCCCC1)CCC(=O)NCCCCO
• Canonical SMILES: OCCCCNC(=O)CCC(=O)NC1CCCCCCC1
• InChI: InChI=1S/C16H30N2O3/c19-13-7-6-12-17-15(20)10-11-16(21)18-14-8-4-2-1-3-5-9-14/h14,19H,1-13H2,(H,17,20)(H,18,21)
• InChIKey: PMKFVGGUDZMANS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclooctyl-N-(4-hydroxybutyl)butanediamide
• IUPAC Traditional name: N'-cyclooctyl-N-(4-hydroxybutyl)succinamide
• Synonyms: N-cyclooctyl-N'-(4-hydroxybutyl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.475589
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.0106121
• LogD (pH = 7.4): 1.0106122
• Log P: 1.0106122
• Molar Refractivity: 82.9933 cm^3
• Polarizability: 32.518833 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.31
• LOG S: -2.49
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 8