2-(morpholin-4-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide

• ChemBase编号: 515084
• 分子式: C23H28N2O2
• 平均质量: 364.48062
• 单一同位素质量: 364.21507815
• SMILES: c1(c(N2CCOCC2)cccc1)C(=O)NCC1(c2ccccc2)CCCC1
• Canonical SMILES: O=C(c1ccccc1N1CCOCC1)NCC1(CCCC1)c1ccccc1
• InChI: InChI=1S/C23H28N2O2/c26-22(20-10-4-5-11-21(20)25-14-16-27-17-15-25)24-18-23(12-6-7-13-23)19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2,(H,24,26)
• InChIKey: GLSWIVOJUHENAS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(morpholin-4-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
• IUPAC传统名: 2-(morpholin-4-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
• 别名: 2-morpholin-4-yl-N-[(1-phenylcyclopentyl)methyl]benzamide

理论计算性质

JChem

• Acid pKa: 15.297154
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 4.1186247
• LogD (pH = 7.4): 4.118625
• Log P: 4.118625
• 摩尔折射率: 109.1733 cm^3
• 极化性: 41.548515 Å^3
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 1
• Log P: 3.39
• LOG S: -4.75
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 5