HCID21961330

N-[3-(4-Isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propionamide

3-(4-methoxyphenyl)-N-[2,2,4,6,7-pentamethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran-5-yl]propanamide

C32H39NO3485.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(CCC(=O)Nc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C(C)(C)O3)cc1
InChIKey: SQJRSTWVFWDDCR-UHFFFAOYSA-N
分子式: C32H39NO3
平均分子量: 485.7 g/mol
单同位素质量: 485.29299411

COMPUTED

结构计算性质

已同步

XLogP: 7.3
极性表面积: 47.6 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 7
重原子: 36
形式电荷: 0
复杂度: 719

ALIASES

名称与别名

共 3 条

SCHEMBL2911192SQJRSTWVFWDDCR-UHFFFAOYSA-NN-[3-(4-Isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl]-3-(4-methoxyphenyl)propionamide

REACTIONS

参与反应

8 条

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07456162B2

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uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07456162B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06479536B1

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uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06479536B1

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2006_09 · 10.6084/m9.figshare.5104873.v1 · US07101867B2

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uspto-grants-2006_09 · 10.6084/m9.figshare.5104873.v1 · US07101867B2

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