ethyl 4-[3-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetyl-N-methylamino]-1-propyl]benzoate

HCID 23512235

기본 정보

표준 SMILES
CCOC(=O)c1ccc(CCCN(C)C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1
InChIKey
FCAHZUZRVYRLMV-UHFFFAOYSA-N
분자식
C30H35N3O5
평균 분자량
517.6 g/mol
단동위원소 질량
517.25767123

이름 및 식별자

우선 이름
ethyl 4-[3-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetyl-N-methylamino]-1-propyl]benzoate
IUPAC
ethyl 4-[3-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-methylamino]propyl]benzoate

이름 및 동의어

SCHEMBL5152645FCAHZUZRVYRLMV-UHFFFAOYSA-Nethyl 4-[3-[3-methoxy-4-[N'-(2-methylphenyl) ureido]phenylacetyl-N-methylamino]-1-propyl]benzoateethyl 4-[3-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenyl acetyl-N-methylamino]-1-propyl]benzoateethyl 4-[3-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenyl acetyl-N-methylamino]-1propyl]benzoateethyl 4-[3-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetyl-N-methylamino]-1-propyl]benzoate

데이터베이스 식별자

PubChem CID
23512235

물성

구조 계산 물성

XLogP
4.7
극성 표면적
97 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
12
무거운 원자 수
38

관련 반응

6건

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