(2R)-2-amino-N-methyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide

• ChemBase编号: 531160
• 分子式: C14H16N2OS
• 平均质量: 260.35464
• 单一同位素质量: 260.09833414
• SMILES: C(=O)(N(Cc1cscc1)C)[C@@H](c1ccccc1)N
• Canonical SMILES: O=C([C@@H](c1ccccc1)N)N(Cc1cscc1)C
• InChI: InChI=1S/C14H16N2OS/c1-16(9-11-7-8-18-10-11)14(17)13(15)12-5-3-2-4-6-12/h2-8,10,13H,9,15H2,1H3/t13-/m1/s1
• InChIKey: VPWDXADHHIHHLS-CYBMUJFWSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-amino-N-methyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
• IUPAC传统名: (2R)-2-amino-N-methyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
• 别名: (2R)-2-amino-N-methyl-2-phenyl-N-(3-thienylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.23641847
• LogD (pH = 7.4): 1.4372114
• Log P: 1.9342785
• 摩尔折射率: 73.6953 cm^3
• 极化性: 28.66355 Å^3
• 极化表面积: 46.33 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: 2
• 质子供体: 1
• Log P: 1.92
• LOG S: -2.74
• 极化表面积: 46.33 Å^2
• 可自由旋转的化学键: 4