N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}-5-Methyl-N,N-Dipropylisophthalamide

HCID 9916309

기본 정보

표준 SMILES
CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)c1
InChIKey
JEEOUWBWJFSMIP-IOWSJCHKSA-N
분자식
C33H41F2N3O4
평균 분자량
581.7 g/mol

이름 및 식별자

우선 이름
N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}-5-Methyl-N,N-Dipropylisophthalamide
IUPAC
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

이름 및 동의어

N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}-5-Methyl-N,N-DipropylisophthalamideCHEMBL221597SCHEMBL5351077BDBM15798JEEOUWBWJFSMIP-IOWSJCHKSA-Nhydroxyethyl secondary amine (HEA) inhibitor 6cQ27458952(1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-methoxybenzylamino)-propyl]-5-methyl-N,N-dipropylisophthalamide3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-methoxyphenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamideN'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamideN1-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-methyl-N3,N3-dipropylisophthalamide

데이터베이스 식별자

PubChem CID
9916309
ChEMBL
CHEMBL221597
Nikkaji
J3.690.533F

물성

구조 계산 물성

XLogP
5.5
극성 표면적
90.9 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
15
무거운 원자 수
42

관련 반응

5건

화합물 노트

불러오는 중…