N-(cyclopropylmethyl)-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propylacetamide

• ChemBase编号: 771973
• 分子式: C18H24N2O3
• 平均质量: 316.39476
• 单一同位素质量: 316.17869264
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)CC(=O)N(CC1CC1)CCC
• Canonical SMILES: CCCN(C(=O)CN1C(=O)OC[C@@H]1c1ccccc1)CC1CC1
• InChI: InChI=1S/C18H24N2O3/c1-2-10-19(11-14-8-9-14)17(21)12-20-16(13-23-18(20)22)15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3/t16-/m1/s1
• InChIKey: UQIHEWASUXNVDM-MRXNPFEDSA-N

名称和登记号

名称

• IUPAC标准名: N-(cyclopropylmethyl)-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propylacetamide
• IUPAC传统名: N-(cyclopropylmethyl)-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propylacetamide
• 别名: N-(cyclopropylmethyl)-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propylacetamide

理论计算性质

JChem

• Acid pKa: 18.360157
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.4273705
• LogD (pH = 7.4): 2.4273705
• Log P: 2.4273705
• 摩尔折射率: 87.1115 cm^3
• 极化性: 34.081707 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.73
• LOG S: -3.84
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 7