9Y4
Summary
| Name: | N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide |
| Formula: | C16 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 254.327 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-methylphenyl)methyl]-2-phenylazanyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccc(cc1)CNC(=O)CNc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C16H18N2O/c1-13-7-9-14(10-8-13)11-18-16(19)12-17-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | VRFYXFGMPCGHJQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CNC(=O)CNc2ccccc2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CNC(=O)CNc2ccccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CNC(=O)CNc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CNC(=O)CNc2ccccc2 |
