N-(3-{1-[4-(3,4-Difluorophenoxy)benzyl]-4-piperidinyl}-4-methylphenyl)-2-methylpropanamide

HCID 16756754

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 487051-12-7
표준 SMILES: Cc1ccc(NC(=O)C(C)C)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
InChIKey: VMLZFUVIKCGATC-UHFFFAOYSA-N
분자식: C29H32F2N2O2
평균 분자량: 478.6 g/mol
단동위원소 질량: 478.24318459

이름 및 식별자

우선 이름: N-(3-{1-[4-(3,4-Difluorophenoxy)benzyl]-4-piperidinyl}-4-methylphenyl)-2-methylpropanamide
IUPAC: N-[3-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
영어명: N-[3-[1-[[4-(3,4-Difluorophenoxy)phenyl]methyl]-4-piperidinyl]-4-methylphenyl]-2-methylpropanamidehydrochloride
분자식: C29H32F2N2O2
분자량: 478.57

이름 및 동의어

SNAP-94847SNAP 94847487051-12-7N-(3-{1-[4-(3,4-DIFLUOROPHENOXY)BENZYL]-4-PIPERIDINYL}-4-METHYLPHENYL)-2-METHYLPROPANAMIDECHEMBL242004A1D6TN-(3-(1-(4-(3,4-difluorophenoxy)benzyl)piperidin-4-yl)-4-methylphenyl)isobutyramideN-[3-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamideSNAP94847N-(3-{1-[4-(3,4-DIFLUOROPHENOXY)BENZYL]-4-PIPERIDINYL)-4-METHYLPHENYL)-2-METHYLPROPANAMIDESNAP-94847 hydrochlorideorb1689891

이름 더 보기

SNAP-94847 >=98% (HPLC)SNAP 94847 hydrochlorideN-[3-(1-{[4-(3,4-difluorophenoxy)phenyl]methyl}piperidin-4-yl)-4-methylphenyl]-2-methylpropanamideN-[3-[1-[[4-(3,4-Difluorophenoxy)phenyl]methyl]-4-piperidinyl]-4-methylphenyl]-2-methyl-propanamidePropanamide, N-[3-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]-4-piperidinyl]-4-methylphenyl]-2-methyl-N-[3-[1-[[4-(3,4-Difluorophenoxy)phenyl]methyl]-4-piperidinyl]-4-methylphenyl]-2-methylpropanamidehydrochloride

SCHEMBL5660385SCHEMBL29766907VMLZFUVIKCGATC-UHFFFAOYSA-NDTXSID401028550EX-A3089BDBM50219053ZB1571AKOS040758743

데이터베이스 식별자

CAS: 487051-12-7
PubChem CID: 16756754
DTXSID: DTXSID401028550
ChEMBL: CHEMBL242004
EC Number: 803-839-8
Nikkaji: J2.917.196C

물성

구조 계산 물성

XLogP: 6.3
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 35
형식 전하: 0
복잡도: 661

물리화학적 성질

저장 조건: Desiccate at RT
용해도: 20 mg/mL, · DMSO: 용해성20mg/mL, 투명
물리적 상태: 가루
색상: 흰색에서 베이지색
InChIKey: DEDUDFNRQKUBRH-UHFFFAOYSA-N
SMILES: Fc1c(ccc(c1)Oc2ccc(cc2)CN3CCC(CC3)c4c(ccc(c4)NC(=O)C(C)C)C)F.Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.