N-cyclopentyl-3-(3-hydroxy-3-methylbutyl)benzamide

• ChemBase ID: 388952
• Molecular Formular: C17H25NO2
• Molecular Mass: 275.3859
• Monoisotopic Mass: 275.18852905
• SMILES: C(=O)(NC1CCCC1)c1cc(CCC(O)(C)C)ccc1
• Canonical SMILES: O=C(c1cccc(c1)CCC(O)(C)C)NC1CCCC1
• InChI: InChI=1S/C17H25NO2/c1-17(2,20)11-10-13-6-5-7-14(12-13)16(19)18-15-8-3-4-9-15/h5-7,12,15,20H,3-4,8-11H2,1-2H3,(H,18,19)
• InChIKey: MLZDBRJZLCGCQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-(3-hydroxy-3-methylbutyl)benzamide
• IUPAC Traditional name: N-cyclopentyl-3-(3-hydroxy-3-methylbutyl)benzamide
• Synonyms: N-cyclopentyl-3-(3-hydroxy-3-methylbutyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.947427
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.0652955
• LogD (pH = 7.4): 3.065296
• Log P: 3.065296
• Molar Refractivity: 81.6752 cm^3
• Polarizability: 31.386913 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.71
• LOG S: -3.52
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5