methyl (2R)-3-phenyl-2-{[(2-phenylethyl)carbamoyl]amino}propanoate

• ChemBase编号: 194775
• 分子式: C19H22N2O3
• 平均质量: 326.38958
• 单一同位素质量: 326.16304257
• SMILES: C(=O)(N[C@@H](C(=O)OC)Cc1ccccc1)NCCc1ccccc1
• Canonical SMILES: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCc1ccccc1
• InChI: InChI=1S/C19H22N2O3/c1-24-18(22)17(14-16-10-6-3-7-11-16)21-19(23)20-13-12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H2,20,21,23)/t17-/m1/s1
• InChIKey: RPADKOSDERMFBJ-QGZVFWFLSA-N

名称和登记号

名称

• IUPAC标准名: methyl (2R)-3-phenyl-2-{[(2-phenylethyl)carbamoyl]amino}propanoate
• IUPAC传统名: methyl (2R)-3-phenyl-2-{[(2-phenylethyl)carbamoyl]amino}propanoate

登记号

• PubChem SID: 164250685
• PubChem CID: 1798247

理论计算性质

• Acid pKa: 14.815983
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.9456205
• LogD (pH = 7.4): 2.9456205
• Log P: 2.9456205
• 摩尔折射率: 92.2702 cm^3
• 极化性: 35.919983 Å^3
• 极化表面积: 67.43 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds