基本情報
- 標準SMILES
Cc1ccc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1- InChIKey
GLSSVRGOTTUQNM-UHFFFAOYSA-N- 分子式
- C17H24BNO3
- 平均分子量
- 301.2 g/mol
- 単同位体質量
- 301.1849238
名称と識別子
- 優先名称
- N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- IUPAC
- N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
名称と別名
515135-67-8N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideBenzamide, N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-MFCD13191775Benzamide,N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(Cyclopropylcarbamoyl)-2-methylphenylboronic Acid Pinacol EsterSCHEMBL380118GLSSVRGOTTUQNM-UHFFFAOYSA-NAKOS037644414AS-53403SY244912DB-371508
名称をさらに表示
P16437F534795A1-103345-Cyclopropylcarbamoyl-2-methylbenzeneboronic acid pinacol ester, 97%N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)benzamideN-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamideN-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzamideN-Cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzamide
データベース識別子
- PubChem CID
- 21914577
- Nikkaji
- J2.686.133K
物性
構造計算による物性
- 極性表面積
- 47.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 431
関連反応
118 件
化合物ノート
読み込み中…