N-{5-[2-(2-hydroxyphenoxy)acetamido]-2-methoxyphenyl}pentanamide

• ChemBase编号: 816392
• 分子式: C20H24N2O5
• 平均质量: 372.41496
• 单一同位素质量: 372.16852188
• SMILES: c1(NC(=O)CCCC)cc(NC(=O)COc2c(O)cccc2)ccc1OC
• Canonical SMILES: CCCCC(=O)Nc1cc(ccc1OC)NC(=O)COc1ccccc1O
• InChI: InChI=1S/C20H24N2O5/c1-3-4-9-19(24)22-15-12-14(10-11-17(15)26-2)21-20(25)13-27-18-8-6-5-7-16(18)23/h5-8,10-12,23H,3-4,9,13H2,1-2H3,(H,21,25)(H,22,24)
• InChIKey: AAIZWIRCLPPKJR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{5-[2-(2-hydroxyphenoxy)acetamido]-2-methoxyphenyl}pentanamide
• IUPAC传统名: N-{5-[2-(2-hydroxyphenoxy)acetamido]-2-methoxyphenyl}pentanamide
• 别名: N-(5-{[(2-hydroxyphenoxy)acetyl]amino}-2-methoxyphenyl)pentanamide

理论计算性质

JChem

• Acid pKa: 9.923166
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 3.0939903
• LogD (pH = 7.4): 3.0927155
• Log P: 3.0940068
• 摩尔折射率: 104.0191 cm^3
• 极化性: 39.027138 Å^3
• 极化表面积: 96.89 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 3
• Log P: 2.08
• LOG S: -3.69
• 极化表面积: 96.89 Å^2
• 可自由旋转的化学键: 9