N-(2,4-dimethylphenyl)-2-[(2-phenylpropyl)amino]acetamide

• ChemBase编号: 347632
• 分子式: C19H24N2O
• 平均质量: 296.40666
• 单一同位素质量: 296.1888634
• SMILES: N(c1c(cc(cc1)C)C)C(=O)CNCC(c1ccccc1)C
• Canonical SMILES: O=C(Nc1ccc(cc1C)C)CNCC(c1ccccc1)C
• InChI: InChI=1S/C19H24N2O/c1-14-9-10-18(15(2)11-14)21-19(22)13-20-12-16(3)17-7-5-4-6-8-17/h4-11,16,20H,12-13H2,1-3H3,(H,21,22)
• InChIKey: QRIBZXJRBHJZRN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,4-dimethylphenyl)-2-[(2-phenylpropyl)amino]acetamide
• IUPAC传统名: N-(2,4-dimethylphenyl)-2-[(2-phenylpropyl)amino]acetamide
• 别名: N-(2,4-dimethylphenyl)-2-[(2-phenylpropyl)amino]acetamide

理论计算性质

JChem

• Acid pKa: 13.959349
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.1548814
• LogD (pH = 7.4): 2.7131052
• Log P: 4.1243567
• 摩尔折射率: 92.9769 cm^3
• 极化性: 35.340992 Å^3
• 极化表面积: 41.13 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 2
• Log P: 3.44
• LOG S: -4.29
• 极化表面积: 41.13 Å^2
• 可自由旋转的化学键: 6