A1A3P
Summary
| Name: | N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide |
| Formula: | C14 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 246.305 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(4-ethanoylphenyl)-2-pyrrolidin-1-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ccc(cc1)C(C)=O)CN1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C14H18N2O2/c1-11(17)12-4-6-13(7-5-12)15-14(18)10-16-8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,15,18) |
| InChIKey | InChI | 1.06 | BTFSIMIIDGGVRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1ccc(cc1)NC(=O)CN2CCCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1ccc(cc1)NC(=O)CN2CCCC2 |
