A1BR3
Summary
| Name: | N~3~-[(2-methoxyphenyl)acetyl]-N~3~-methyl-beta-alaninamide |
| Formula: | C13 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 250.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N~3~-[(2-methoxyphenyl)acetyl]-N~3~-methyl-beta-alaninamide |
| OpenEye OEToolkits | 3.1.0.0 | 3-[2-(2-methoxyphenyl)ethanoyl-methyl-amino]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1ccccc1CC(=O)N(C)CCC(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O3/c1-15(8-7-12(14)16)13(17)9-10-5-3-4-6-11(10)18-2/h3-6H,7-9H2,1-2H3,(H2,14,16) |
| InChIKey | InChI | 1.06 | HYRNBUDTYVNBBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CC(=O)N(C)CCC(N)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1CC(=O)N(C)CCC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(CCC(=O)N)C(=O)Cc1ccccc1OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(CCC(=O)N)C(=O)Cc1ccccc1OC |
