4-(2-methoxyacetamido)-N-(1-phenylbutyl)benzamide

• ChemBase ID: 503623
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C(=O)(NC(c1ccccc1)CCC)c1ccc(NC(=O)COC)cc1
• Canonical SMILES: CCCC(c1ccccc1)NC(=O)c1ccc(cc1)NC(=O)COC
• InChI: InChI=1S/C20H24N2O3/c1-3-7-18(15-8-5-4-6-9-15)22-20(24)16-10-12-17(13-11-16)21-19(23)14-25-2/h4-6,8-13,18H,3,7,14H2,1-2H3,(H,21,23)(H,22,24)
• InChIKey: BAVCQHYUHMBLFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyacetamido)-N-(1-phenylbutyl)benzamide
• IUPAC Traditional name: 4-(2-methoxyacetamido)-N-(1-phenylbutyl)benzamide
• Synonyms: 4-[(methoxyacetyl)amino]-N-(1-phenylbutyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.528446
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.21929
• LogD (pH = 7.4): 3.2192872
• Log P: 3.2192903
• Molar Refractivity: 99.5059 cm^3
• Polarizability: 37.52792 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.16
• LOG S: -4.63
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5