3,5-dimethyl-N-(3-phenylpropyl)-1-benzofuran-2-carboxamide

• ChemBase ID: 402339
• Molecular Formular: C20H21NO2
• Molecular Mass: 307.38624
• Monoisotopic Mass: 307.15722892
• SMILES: c1(c(c2c(o1)ccc(c2)C)C)C(=O)NCCCc1ccccc1
• Canonical SMILES: Cc1ccc2c(c1)c(C)c(o2)C(=O)NCCCc1ccccc1
• InChI: InChI=1S/C20H21NO2/c1-14-10-11-18-17(13-14)15(2)19(23-18)20(22)21-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,21,22)
• InChIKey: ZRQIFZBFIFEWKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethyl-N-(3-phenylpropyl)-1-benzofuran-2-carboxamide
• IUPAC Traditional name: 3,5-dimethyl-N-(3-phenylpropyl)-1-benzofuran-2-carboxamide
• Synonyms: 3,5-dimethyl-N-(3-phenylpropyl)-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.089529
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.6112323
• LogD (pH = 7.4): 4.6112323
• Log P: 4.6112323
• Molar Refractivity: 92.8027 cm^3
• Polarizability: 36.228336 Å^3
• Polar Surface Area: 42.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.55
• LOG S: -6.15
• Polar Surface Area: 42.24 Å^2
• Rotatable Bonds: 5