3-Methyl-2-[4-((((3,5-dimethylphenyl)amino)carbonyl)methyl)phenoxy]butanoic acid

HCID 15428555

기본 정보

표준 SMILES
Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C(=O)O)C(C)C)cc2)c1
InChIKey
OPJOTMXLMZTRBT-UHFFFAOYSA-N
분자식
C21H25NO4
평균 분자량
355.4 g/mol

이름 및 식별자

우선 이름
3-Methyl-2-[4-((((3,5-dimethylphenyl)amino)carbonyl)methyl)phenoxy]butanoic acid
IUPAC
2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-3-methylbutanoic acid

이름 및 동의어

SCHEMBL8700410OPJOTMXLMZTRBT-UHFFFAOYSA-N3-methyl-2-[4-((((3,5-dimethylphenyl) amino)carbonyl)methyl) phenoxy] butanoic acid3-methyl-2-[4-((((3,5-dimethylphenyl)amino)carbonyl)methyl) phenoxy] butanoic acid3-methyl-2-[4-((((3,5-dimethylphenyl)amino)carbonyl)methyl) phenoxy]butanoic acid3-methyl-2-[4-((((3,5-dimethylphenyl)amino)carbonyl)methyl)phenoxy] butanoic acid3-methyl-2-[4-((((3,5-dimethylphenyl)amino)carbonyl)methyl)phenoxy]butanoic acid

데이터베이스 식별자

PubChem CID
15428555

물성

구조 계산 물성

XLogP
4.4
극성 표면적
75.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
7
무거운 원자 수
26

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7건

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