5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (3-diethylamino-propyl)-amide

HCID 20761799

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCN(CC)CCCNC(=O)c1c(C)[nH]c(C=O)c1C
InChIKey: LGEDMMLOYIQXRB-UHFFFAOYSA-N
분자식: C15H25N3O2
평균 분자량: 279.38 g/mol

이름 및 식별자

우선 이름: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (3-diethylamino-propyl)-amide
IUPAC: N-[3-(diethylamino)propyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

이름 및 동의어

LGEDMMLOYIQXRB-UHFFFAOYSA-N5-formyl-2,4-dimethyl-1 H-pyrrole-3-carboxylic acid (3-diethylamino-propyl)-amide5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (3-diethylamino-propyl)-amide5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (3-diethylaminopropyl)amide

데이터베이스 식별자

PubChem CID: 20761799

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 20
형식 전하: 0
복잡도: 318

관련 반응

44건

반응 기록 만들기

HRID 120136 반응식

HRID 120136반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 152794 반응식

HRID 152794반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 201961 반응식

HRID 201961반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 287528 반응식

HRID 287528반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 983042 반응식

HRID 983042생성물로uspto-grants-2005_03

HRID 983139 반응식

HRID 983139반응물로uspto-grants-2005_03

HRID 983141 반응식

HRID 983141반응물로uspto-grants-2005_03

HRID 983148 반응식

HRID 983148반응물로uspto-grants-2005_03

화합물 노트

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5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (3-diethylamino-propyl)-amide (HCID 20761799)｜Huagongshe