N-(2H3)methyl-3,3-diphenylpropanamide

• ChemBase编号: 173599
• 分子式: C16H17NO
• 平均质量: 239.31228
• 单一同位素质量: 239.13101417
• SMILES: C(CC(=O)NC)(c1ccccc1)c1ccccc1
• Canonical SMILES: CNC(=O)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H17NO/c1-17-16(18)12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,17,18)
• InChIKey: DBUBYNLFHWVMRH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(^2H₃)methyl-3,3-diphenylpropanamide
• IUPAC传统名: N-(^2H₃)methyl-3,3-diphenylpropanamide
• 别名: N-(Methyl-d3)-β-phenyl-benzenepropanamide; N-Methyl 3,3-Diphenylpropionamide-d3

登记号

• PubChem SID: 164229509
• PubChem CID: 46782233

理论计算性质

• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• Acid pKa: 16.191187
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.893119
• LogD (pH = 7.4): 2.8931193
• Log P: 2.8931193
• 摩尔折射率: 73.3291 cm^3
• 极化性: 28.53079 Å^3

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate
• 外观: White Solid

详细说明

Toronto Research Chemicals - M303707

Intermediate for the synthesis of labelled Lercanidipine HCl