基本情報
- CAS
179096-72-1- 標準SMILES
CCC1(N(CCO)C(=O)c2ccccc2CCC(O)Cc2ccc(C)cc2C(=O)N(CC2COC(C)(C)OC2)C(C)(C)c2ccccc2)CCCC1- InChIKey
WPGHMMPZJWGJEU-UHFFFAOYSA-N- 分子式
- C44H60N2O6
- 平均分子量
- 713 g/mol
- 単同位体質量
- 712.44513764
名称と識別子
- 優先名称
- N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carbamoyl]phenyl}-2-hydroxybutyl)-5-methyl-N-(2-phenylpropan-2-yl)benzamide
- IUPAC
- N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-[4-[2-[(1-ethylcyclopentyl)-(2-hydroxyethyl)carbamoyl]phenyl]-2-hydroxybutyl]-5-methyl-N-(2-phenylpropan-2-yl)benzamide
名称と別名
Tertiary Amide deriv. 44BDBM9669CHEMBL316480DTXSID901099150179096-72-1N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carbamoyl]phenyl}-2-hydroxybutyl)-5-methyl-N-(2-phenylpropan-2-yl)benzamideN-(1-Ethylcyclopentyl)-2-[4-[(2-[(2,2-dimethyl[1,3]dioxan-5-yl)methyl-1-phenylethyl)carbamoyl]-4-methylphenyl]-3-hydroxybutyl]N-(2-hydroxyethyl)benzamideN-(1-Ethylcyclopentyl)-2-[4-[2-[(2,2-dimethyl[1,3]dioxan-5-yl)methyl](1-methyl-1-phenylethyl)carbamoyl]-4-methylphenyl]3-hydroxybutyl]-N-(2-hydroxyethyl)benzamideN-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-[4-[2-[(1-ethylcyclopentyl)-(2-hydroxyethyl)carbamoyl]phenyl]-2-hydroxy-butyl]-5-methyl-N-(1-methyl-1-phenyl-ethyl)benzamideN-[(2,2-Dimethyl-1,3-dioxan-5-yl)methyl]-2-[4-[2-[[(1-ethylcyclopentyl)(2-hydroxyethyl)amino]carbonyl]phenyl]-2-hydroxybutyl]-5-methyl-N-(1-methyl-1-phenylethyl)benzamide
データベース識別子
- CAS
179096-72-1- PubChem CID
- 461071
- DTXSID
DTXSID901099150
物性
構造計算による物性
- XLogP
- 7
- 極性表面積
- 99.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 15
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,120
関連反応
0 件
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