4-(azonan-1-yl)-N-cyclopentyl-4-oxobutanamide

• ChemBase ID: 587408
• Molecular Formular: C17H30N2O2
• Molecular Mass: 294.4323
• Monoisotopic Mass: 294.23072821
• SMILES: N1(C(=O)CCC(=O)NC2CCCC2)CCCCCCCC1
• Canonical SMILES: O=C(NC1CCCC1)CCC(=O)N1CCCCCCCC1
• InChI: InChI=1S/C17H30N2O2/c20-16(18-15-9-5-6-10-15)11-12-17(21)19-13-7-3-1-2-4-8-14-19/h15H,1-14H2,(H,18,20)
• InChIKey: BMAWEWGFQXYYOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(azonan-1-yl)-N-cyclopentyl-4-oxobutanamide
• IUPAC Traditional name: 4-(azonan-1-yl)-N-cyclopentyl-4-oxobutanamide
• Synonyms: 4-azonan-1-yl-N-cyclopentyl-4-oxobutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.031843
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1974337
• LogD (pH = 7.4): 2.197434
• Log P: 2.197434
• Molar Refractivity: 84.2297 cm^3
• Polarizability: 32.999687 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.0
• LOG S: -3.91
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 4