WLY
Summary
| Name: | 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide |
| Formula: | C14 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 233.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(4-methylphenyl)-~{N}-[[(2~{S})-oxolan-2-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NC(Cc1ccc(cc1)C)=O)C2CCCO2 |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-14(16)15-10-13-3-2-8-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | GNNODMPIMQHVQL-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CC(=O)NC[CH]2CCCO2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CC(=O)NC[C@@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CC(=O)NCC2CCCO2 |
