2-[3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoylamino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

HCID 5239119

ノート反応

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)c1cc(CCC(=O)NCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIKey: VFZSOGUCJVHTEW-UHFFFAOYSA-N
分子式: C36H55NO5
平均分子量: 581.8 g/mol
単同位体質量: 581.40802385

名称と識別子

優先名称: 2-[3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoylamino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
IUPAC: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

名称と別名

2-[3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPANAMIDO]ETHYL 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPANOATE2-{[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]amino}ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoateVFZSOGUCJVHTEW-UHFFFAOYSA-NAH-034/32855041SCHEMBL11326596MFCD00601944AKOS0014835192-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoateSR-01000389737SR-01000389737-12-({3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}amino)ethyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamido]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

データベース識別子

PubChem CID: 5239119

物性

構造計算による物性

XLogP: 9.2
極性表面積: 95.9 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 14
重原子数: 42
形式電荷: 0
複雑度: 823

化合物ノート

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