Urea, N-methoxy-N-methyl-N'-(4-(2-(4-methylphenyl)ethoxy)phenyl)-

HCID 93385CAS 68358-79-2

기본 정보

표준 SMILES: CON(C)C(=O)Nc1ccc(OCCc2ccc(C)cc2)cc1
InChIKey: XZNOYUSOBQSRNI-UHFFFAOYSA-N
분자식: C18H22N2O3
평균 분자량: 314.4 g/mol
단동위원소 질량: 314.16304256

이름 및 식별자

우선 이름: Urea, N-methoxy-N-methyl-N'-(4-(2-(4-methylphenyl)ethoxy)phenyl)-
IUPAC: 1-methoxy-1-methyl-3-[4-[2-(4-methylphenyl)ethoxy]phenyl]urea
영어명: 1-methoxy-1-methyl-3-[4-[2-(4-methylphenyl)ethoxy]phenyl]urea
분자식: C18H22N2O3
분자량: 314.38

이름 및 동의어

Urea, N-methoxy-N-methyl-N'-(4-(2-(4-methylphenyl)ethoxy)phenyl)-BRN 3065568S-3552N'-4-(4-Methylphenethyloxy)phenyl-N-methoxy-N-methylureaDTXSID5073610N-Methoxy-N-methyl-N'-(4-(2-(p-tolyl)ethoxy)phenyl)ureaN-Methoxy-N-methyl-N'-[4-[2-(p-tolyl)ethoxy]phenyl]ureaRefChem:388148DTXCID404589868358-79-21-methoxy-1-methyl-3-[4-[2-(4-methylphenyl)ethoxy]phenyl]ureaSCHEMBL7901625

이름 더 보기

1-Methoxy-1-methyl-3-[p-[2-(p-tolyl)ethoxy]phenyl]ureaN-Methoxy-N-methyl-N'-[4-[2-(4-methylphenyl)ethoxy]phenyl]ureaUrea, N-methoxy-N-methyl-N'-[4-[2-(4-methylphenyl)ethoxy]phenyl]-

XZNOYUSOBQSRNI-UHFFFAOYSA-Ns35-523-[4-(4-methylphenethyloxy)phenyl]-1-methoxy-1-methylureaN'-[4-(4-methylphenethyloxy)phenyl]-N-methoxy-N-methylurea3-[4-(4-methylphenethyloxy)phenyl]-1- methoxy-1- methylureaN-Methoxy-N-methyl-N'-{4-[2-(4-methylphenyl)ethoxy]phenyl}urea

데이터베이스 식별자

CAS: 68358-79-2
PubChem CID: 93385
DTXSID: DTXSID5073610
Nikkaji: J31.990B

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 50.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 23
형식 전하: 0
복잡도: 348

물리화학적 성질

끓는 점: 454.06 °C · 454.06°C (rough estimate)
밀도: 1.1842 · 1.1842 (rough estimate)
굴절률: 1.57 · 1.5700 (estimate)
산도 계수 (pKa): 13.09 · 13.09±0.70(Predicted)
EPA: 4 · N-Methoxy-N-methyl-N'-[4-[2-(p-tolyl)ethoxy]phenyl]urea (68358-79-2)