N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase编号: 453413
• 分子式: C20H33N3O2
• 平均质量: 347.49492
• 单一同位素质量: 347.25727731
• SMILES: C(=O)(N(Cc1ccncc1)CCOC)CC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: COCCN(C(=O)CC1CC(C)(C)NC(C1)(C)C)Cc1ccncc1
• InChI: InChI=1S/C20H33N3O2/c1-19(2)13-17(14-20(3,4)22-19)12-18(24)23(10-11-25-5)15-16-6-8-21-9-7-16/h6-9,17,22H,10-15H2,1-5H3
• InChIKey: PRIRYXVVSMAOGQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC传统名: N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• 别名: N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.7790209
• LogD (pH = 7.4): -1.248087
• Log P: 1.5633718
• 摩尔折射率: 100.8792 cm^3
• 极化性: 39.747993 Å^3
• 极化表面积: 54.46 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 2.4
• LOG S: -2.48
• 极化表面积: 54.46 Å^2
• 可自由旋转的化学键: 7