N-[2-(dimethylamino)-1-phenylethyl]-N-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase编号: 681981
• 分子式: C22H37N3O
• 平均质量: 359.54868
• 单一同位素质量: 359.29366282
• SMILES: C(=O)(N(C(CN(C)C)c1ccccc1)C)CC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: CN(C(c1ccccc1)CN(C)C)C(=O)CC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C22H37N3O/c1-21(2)14-17(15-22(3,4)23-21)13-20(26)25(7)19(16-24(5)6)18-11-9-8-10-12-18/h8-12,17,19,23H,13-16H2,1-7H3
• InChIKey: NQNBCXMBTQWJKU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(dimethylamino)-1-phenylethyl]-N-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC传统名: N-[2-(dimethylamino)-1-phenylethyl]-N-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• 别名: N-[2-(dimethylamino)-1-phenylethyl]-N-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.8996046
• LogD (pH = 7.4): -0.7039864
• Log P: 2.9064312
• 摩尔折射率: 109.6819 cm^3
• 极化性: 43.35719 Å^3
• 极化表面积: 35.58 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: 3.69
• LOG S: -4.97
• 极化表面积: 35.58 Å^2
• 可自由旋转的化学键: 6