HCID21031129

[4-(4-tert-Butoxycarbonylaminobutyl)phenoxy]acetic acid methyl ester

methyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]acetate

C18H27NO5337.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)COc1ccc(CCCCNC(=O)OC(C)(C)C)cc1
InChIKey: BTXINXJJZKVSFH-UHFFFAOYSA-N
分子式: C18H27NO5
平均分子量: 337.4 g/mol
单同位素质量: 337.18892296

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 73.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 11
重原子: 24
形式电荷: 0
复杂度: 383

ALIASES

名称与别名

共 6 条

SCHEMBL916429BTXINXJJZKVSFH-UHFFFAOYSA-NDB-171769[4-(4-tert-Butoxycarbonylaminobutyl)phenoxy]acetic acid methyl esterMethyl 2-(4-(4-((tert-butoxycarbonyl)amino)butyl)phenoxy)acetate847201-12-1

REACTIONS

参与反应

18 条

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07388013B2

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07388013B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07868010B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07868010B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07247637B2

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07247637B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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