N-{2-[2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl}acetamide

• ChemBase编号: 585861
• 分子式: C22H26N2O3
• 平均质量: 366.45344
• 单一同位素质量: 366.1943427
• SMILES: N1(C(=O)CNC(=O)C)CC(CC(c2ccccc2)c2ccccc2)OCC1
• Canonical SMILES: O=C(N1CCOC(C1)CC(c1ccccc1)c1ccccc1)CNC(=O)C
• InChI: InChI=1S/C22H26N2O3/c1-17(25)23-15-22(26)24-12-13-27-20(16-24)14-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-16H2,1H3,(H,23,25)
• InChIKey: UWINFEYXTZIRPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{2-[2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl}acetamide
• IUPAC传统名: N-{2-[2-(2,2-diphenylethyl)morpholin-4-yl]-2-oxoethyl}acetamide
• 别名: N-{2-[2-(2,2-diphenylethyl)-4-morpholinyl]-2-oxoethyl}acetamide

理论计算性质

JChem

• Acid pKa: 13.08696
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.0315733
• LogD (pH = 7.4): 2.0315723
• Log P: 2.0315733
• 摩尔折射率: 104.4197 cm^3
• 极化性: 40.638584 Å^3
• 极化表面积: 58.64 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: 3
• 质子供体: 1
• Log P: 2.81
• LOG S: -3.09
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 6