N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)propanamide

• ChemBase编号: 512289
• 分子式: C32H37NO5
• 平均质量: 515.63988
• 单一同位素质量: 515.26717329
• SMILES: N(C(=O)CCc1c(OC)cccc1)(Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)CC1OCCC1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)CCc1ccccc1OC)CC1CCCO1
• InChI: InChI=1S/C32H37NO5/c1-35-29-12-6-5-8-24(29)14-16-32(34)33(22-27-11-7-17-37-27)21-23-13-15-30(31(18-23)36-2)38-28-19-25-9-3-4-10-26(25)20-28/h3-6,8-10,12-13,15,18,27-28H,7,11,14,16-17,19-22H2,1-2H3
• InChIKey: FQINUYHBNKDHAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)propanamide
• IUPAC传统名: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)propanamide
• 别名: N-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxybenzyl]-3-(2-methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)propanamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.4788103
• LogD (pH = 7.4): 5.4788103
• Log P: 5.4788103
• 摩尔折射率: 148.1865 cm^3
• 极化性: 57.610123 Å^3
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 5.53
• LOG S: -6.58
• 极化表面积: 57.23 Å^2
• 可自由旋转的化学键: 9