N-[(2S)-2-hydroxy-2-phenylethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase编号: 379028
• 分子式: C19H30N2O2
• 平均质量: 318.4537
• 单一同位素质量: 318.23072821
• SMILES: N1C(CC(CC1(C)C)CC(=O)NC[C@H](c1ccccc1)O)(C)C
• Canonical SMILES: O[C@@H](c1ccccc1)CNC(=O)CC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C19H30N2O2/c1-18(2)11-14(12-19(3,4)21-18)10-17(23)20-13-16(22)15-8-6-5-7-9-15/h5-9,14,16,21-22H,10-13H2,1-4H3,(H,20,23)/t16-/m1/s1
• InChIKey: AXNCRWNKLFEINA-MRXNPFEDSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 14.096755
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -1.2587802
• LogD (pH = 7.4): -0.83583
• Log P: 1.9740087
• 摩尔折射率: 93.0584 cm^3
• 极化性: 36.893837 Å^3
• 极化表面积: 61.36 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: 3
• 质子供体: 3
• Log P: 2.74
• LOG S: -3.86
• 极化表面积: 61.36 Å^2
• 可自由旋转的化学键: 5