HCID22260478

t-Butoxycarboxylic acid [1-(4-cyano-tetrahydro-pyran-4-ylcarbamoyl)-2-cyclohexyl-ethyl]-amide

tert-butyl N-[1-[(4-cyanooxan-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate

C20H33N3O4379.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NC1(C#N)CCOCC1
InChIKey: NXNLVELQTPABEW-UHFFFAOYSA-N
分子式: C20H33N3O4
平均分子量: 379.5 g/mol
单同位素质量: 379.24710654

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 100 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 7
重原子: 27
形式电荷: 0
复杂度: 564

ALIASES

名称与别名

共 4 条

SCHEMBL6106699NXNLVELQTPABEW-UHFFFAOYSA-Nt-Butoxycarboxylic acid [1-(4-cyano-tetrahydro-pyran-4-ylcarbamoyl)-2-cyclohexyl-ethyl]-amidet-butoxycarboxylic acid[1-(4-cyano-tetrahydro-pyran-4-ylcarbamoyl)-2-cyclohexyl-ethyl]-amide

REACTIONS

参与反应

6 条

uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06756372B2

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uspto-grants-2007_09 · 10.6084/m9.figshare.5104873.v1 · US07265132B2

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uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07279472B2

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

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uspto-grants-2006_01 · 10.6084/m9.figshare.5104873.v1 · US06982272B2

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uspto-grants-2006_06 · 10.6084/m9.figshare.5104873.v1 · US07056915B2

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