V4L
概要
| 表記: | N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide |
| 組成式: | C14 H22 N2 O |
| 電荷: | 0 |
| 化学式量: | 234.337 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N~2~-methyl-N~2~-[2-methyl-2-(4-methylphenyl)propyl]glycinamide |
| OpenEye OEToolkits | 2.0.7 | 2-[methyl-[2-methyl-2-(4-methylphenyl)propyl]amino]ethanamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | NC(=O)CN(C)CC(C)(C)c1ccc(C)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H22N2O/c1-11-5-7-12(8-6-11)14(2,3)10-16(4)9-13(15)17/h5-8H,9-10H2,1-4H3,(H2,15,17) |
| InChIKey | InChI | 1.06 | JDMIDNSLBBTABU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CC(N)=O)CC(C)(C)c1ccc(C)cc1 |
| SMILES | CACTVS | 3.385 | CN(CC(N)=O)CC(C)(C)c1ccc(C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(C)(C)CN(C)CC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(C)(C)CN(C)CC(=O)N |
