N-[1-(4-hydroxyphenyl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase编号: 762780
• 分子式: C19H30N2O2
• 平均质量: 318.4537
• 单一同位素质量: 318.23072821
• SMILES: N1C(CC(CC(=O)NC(c2ccc(cc2)O)C)CC1(C)C)(C)C
• Canonical SMILES: CC(c1ccc(cc1)O)NC(=O)CC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C19H30N2O2/c1-13(15-6-8-16(22)9-7-15)20-17(23)10-14-11-18(2,3)21-19(4,5)12-14/h6-9,13-14,21-22H,10-12H2,1-5H3,(H,20,23)
• InChIKey: IWLYZUFCQUFGKR-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 9.436811
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -0.51041317
• LogD (pH = 7.4): 0.034852415
• Log P: 1.7328241
• 摩尔折射率: 93.4956 cm^3
• 极化性: 36.879406 Å^3
• 极化表面积: 61.36 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 3
• Log P: 2.89
• LOG S: -3.41
• 极化表面积: 61.36 Å^2
• 可自由旋转的化学键: 4