기본 정보
- CAS
446054-19-9- 표준 SMILES
CCOC(=O)c1ccc(CNC(=O)c2cc(C(C)(C)C)oc2C)o1- InChIKey
BEEZNWLPFBEOPP-UHFFFAOYSA-N- 분자식
- C18H23NO5
- 평균 분자량
- 333.4 g/mol
- 단동위원소 질량
- 333.15762283
개요
5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester is a carboxylic ester. It is functionally related to a 2-furoic acid.
이름 및 식별자
- 우선 이름
- Ethyl 5-[[[[5-(1,1-dimethylethyl)-2-methyl-3-furanyl]carbonyl]amino]methyl]-2-furancarboxylate
- IUPAC
- ethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylate
이름 및 동의어
446054-19-9Ethyl 5-[[[[5-(1,1-dimethylethyl)-2-methyl-3-furanyl]carbonyl]amino]methyl]-2-furancarboxylateEthyl 5-((((5-(1,1-dimethylethyl)-2-methyl-3-furanyl)carbonyl)amino)methyl)-2-furancarboxylateRefChem:3441295-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl esterethyl 5-[[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl]furan-2-carboxylateethyl 5-{[(5-tert-butyl-2-methyl-3-furoyl)amino]methyl}-2-furoateEthyl 5-{[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]methyl}furan-2-carboxylateSMR000071136Oprea1_056692MLS000062320CHEMBL1603997
이름 더 보기
BEEZNWLPFBEOPP-UHFFFAOYSA-NCHEBI:121331DTXSID501117996HMS2366B18STK764750AKOS005616562ST028808AG-205/40775924
데이터베이스 식별자
- CAS
446054-19-9- PubChem CID
- 596773
- DTXSID
DTXSID501117996- ChEMBL
CHEMBL1603997- ChEBI
CHEBI:121331
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 81.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 459
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