EC7
Summary
| Name: | (S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide |
| Formula: | C18 H35 N3 O |
| Formal charge: | 0 |
| Formula weight: | 309.49 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(cyclopropylmethyl)-2-(methylamino)-~{N}-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N(C(=O)C(NC)C)CC(C1CCN(C)CC1)(C)C)C2CC2 |
| InChI | InChI | 1.03 | InChI=1S/C18H35N3O/c1-14(19-4)17(22)21(12-15-6-7-15)13-18(2,3)16-8-10-20(5)11-9-16/h14-16,19H,6-13H2,1-5H3 |
| InChIKey | InChI | 1.03 | CNZYFGVSPPVSBV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(C)C(=O)N(CC1CC1)CC(C)(C)C2CCN(C)CC2 |
| SMILES | CACTVS | 3.385 | CNC(C)C(=O)N(CC1CC1)CC(C)(C)C2CCN(C)CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C)NC |
