2-cyclopentyl-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase编号: 326825
• 分子式: C26H35N3O3
• 平均质量: 437.5744
• 单一同位素质量: 437.267842
• SMILES: C(=O)(N(Cc1cc(OCCN2CCOCC2)ccc1)Cc1ncccc1)CC1CCCC1
• Canonical SMILES: O=C(N(Cc1ccccn1)Cc1cccc(c1)OCCN1CCOCC1)CC1CCCC1
• InChI: InChI=1S/C26H35N3O3/c30-26(19-22-6-1-2-7-22)29(21-24-9-3-4-11-27-24)20-23-8-5-10-25(18-23)32-17-14-28-12-15-31-16-13-28/h3-5,8-11,18,22H,1-2,6-7,12-17,19-21H2
• InChIKey: QTGPNJOZFCIPQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-cyclopentyl-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC传统名: 2-cyclopentyl-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide
• 别名: 2-cyclopentyl-N-{3-[2-(4-morpholinyl)ethoxy]benzyl}-N-(2-pyridinylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.0278323
• LogD (pH = 7.4): 3.1574643
• Log P: 3.2298174
• 摩尔折射率: 125.5385 cm^3
• 极化性: 49.28808 Å^3
• 极化表面积: 54.9 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.17
• LOG S: -3.41
• 极化表面积: 54.9 Å^2
• 可自由旋转的化学键: 10