N-{[4-(dimethylamino)phenyl]methyl}-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]acetamide

• ChemBase编号: 198534
• 分子式: C25H30N2O2
• 平均质量: 390.5179
• 单一同位素质量: 390.23072821
• SMILES: N(C(=O)C)(CCC(c1occc1)c1ccc(cc1)C)Cc1ccc(N(C)C)cc1
• Canonical SMILES: Cc1ccc(cc1)C(c1ccco1)CCN(C(=O)C)Cc1ccc(cc1)N(C)C
• InChI: InChI=1S/C25H30N2O2/c1-19-7-11-22(12-8-19)24(25-6-5-17-29-25)15-16-27(20(2)28)18-21-9-13-23(14-10-21)26(3)4/h5-14,17,24H,15-16,18H2,1-4H3
• InChIKey: AQUQALYZMBZYJN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(dimethylamino)phenyl]methyl}-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]acetamide
• IUPAC传统名: N-{[4-(dimethylamino)phenyl]methyl}-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]acetamide

登记号

• PubChem SID: 164254444
• PubChem CID: 2930249

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.5356355
• LogD (pH = 7.4): 4.6225915
• Log P: 4.6238213
• 摩尔折射率: 119.4218 cm^3
• 极化性: 45.236332 Å^3
• 极化表面积: 36.69 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

• 简要说明: 2 Diastereomers
• 分类: Derivatives & analogs of Natural Compounds