N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide
基本情報
- CAS
745047-94-3- 標準SMILES
COc1cc(C)ccc1CNC(=O)C(=O)NCCc1ccc(C)cn1- InChIKey
GDMDCNCFVKXNAN-UHFFFAOYSA-N- 分子式
- C19H23N3O3
- 平均分子量
- 341.4 g/mol
- 単同位体質量
- 341.1739416
概要
N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide is an amino acid amide.
名称と識別子
- 優先名称
- N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide
- IUPAC
- N'-[(2-methoxy-4-methylphenyl)methyl]-N-[2-(5-methyl-2-pyridinyl)ethyl]oxamide
- 英語名
- N1-(2-Methoxy-4-methylbenzyl)-N2(2-(5-methylpyridin-2-yl)ethyl)oxalamide
- 分子式
- C19H23N3O3
- 分子量
- 341.4
名称と別名
745047-94-3N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(5-methylpyridin-2-yl)ethyl)oxalamideFEMA No. 423450H0N03SQUDTXSID10225505N'-((2-Methoxy-4-methyl-phenyl)methyl)-N-(2-(5-methyl-2-pyridyl)ethyl)oxamideEthanediamide, N-((2-methoxy-4-methylphenyl)methyl)-N'-(2-(5-methyl-2-pyridinyl)ethyl)-Ethanediamide, N1-((2-methoxy-4-methylphenyl)methyl)-N2-(2-(5-methyl-2-pyridinyl)ethyl)-N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide [FHFI]N-((2-METHOXY-4-METHYLPHENYL)METHYL)-N'-(2-(5-METHYL-2-PYRIDINYL)ETHYL)ETHANEDIAMIDEN-[(2-methoxy-4-methylphenyl)methyl]-N'-[2-(5-methylpyridin-2-yl)ethyl]ethanediamideN'-[(2-methoxy-4-methyl-phenyl)methyl]-N-[2-(5-methyl-2-pyridyl)ethyl]oxamide
名称をさらに表示
MethoxymethylbenzylmethylpyridinylethyloxalamideN1-2-methoxy-4-methylbenzyl-N2-5-methylpyridin-2-ylethyloxalamideN1-(2-Methoxy-4-methylbenzyl)-N2(2-(5-methylpyridin-2-yl)ethyl)oxalamideN1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamideEthanediaMide, N-[(2-Methoxy-4-Methylphenyl)Methyl]-N'-[2-(5-Methyl-2-pyridinyl)ethyl]-
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 80.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 444
実験および物理化学的性質
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in non-polar organic solvents; insoluble in water
Sparingly soluble (in ethanol)
Physical DescriptionOff-white powder; Savoury, meat-like aroma
物理化学的性質
- 融点
- 116 · 116-117 °C
- 比重(密度)
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- FEMA
- 4234 · 4234 | N1-(2-METHOXY-4-METHYLBENZYL)-N2-(2-(5-METHYLPYRIDIN-2-YL)ETHYL)OXALAMIDE
- 酸解離定数(Pka)
- 12.34 · 12.34±0.46(Predicted)
- 臭い (Odor)
- 塩辛い肉の風味
- JECFA Number
- 1769 · 1769
- LogP
- 2.02 · 2.02
化学的性質
化学的特性Off-white powder; savory, meat-like aroma.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
関連反応
6 件
化合物ノート
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