A1AX1
Summary
| Name: | 3-(4-tert-butylphenyl)-3-oxopropanamide |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(4-tert-butylphenyl)-3-oxopropanamide |
| OpenEye OEToolkits | 2.0.7 | 3-(4-~{tert}-butylphenyl)-3-oxidanylidene-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)c1ccc(cc1)C(=O)CC(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO2/c1-13(2,3)10-6-4-9(5-7-10)11(15)8-12(14)16/h4-7H,8H2,1-3H3,(H2,14,16) |
| InChIKey | InChI | 1.06 | FQSRTGNIILJASA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C(=O)CC(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C(=O)CC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)C(=O)CC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)C(=O)CC(=O)N |
