N-cyclopropyl-2-[2-(2,2-diphenylethyl)morpholin-4-yl]acetamide

• ChemBase编号: 709387
• 分子式: C23H28N2O2
• 平均质量: 364.48062
• 单一同位素质量: 364.21507815
• SMILES: N1(CC(=O)NC2CC2)CC(CC(c2ccccc2)c2ccccc2)OCC1
• Canonical SMILES: O=C(CN1CCOC(C1)CC(c1ccccc1)c1ccccc1)NC1CC1
• InChI: InChI=1S/C23H28N2O2/c26-23(24-20-11-12-20)17-25-13-14-27-21(16-25)15-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-22H,11-17H2,(H,24,26)
• InChIKey: RYHBXWLNXHRBLN-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 摩尔折射率: 107.3597 cm^3
• 极化性: 42.084652 Å^3
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• Acid pKa: 15.41275
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.6227005
• LogD (pH = 7.4): 3.2518034
• Log P: 3.2702434

Provided by Chembridge

• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 7
• 质子受体: 3
• 质子供体: 1
• Log P: 3.63
• LOG S: -4.96