DE3
Summary
| Name: | N,N-diethyl-3-methylbenzamide |
| Formula: | C12 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 191.269 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,N-diethyl-3-methylbenzamide |
| OpenEye OEToolkits | 1.7.0 | N,N-diethyl-3-methyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N(CC)CC)c1cccc(c1)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CCN(CC)C(=O)c1cccc(C)c1 |
| SMILES | CACTVS | 3.370 | CCN(CC)C(=O)c1cccc(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCN(CC)C(=O)c1cccc(c1)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCN(CC)C(=O)c1cccc(c1)C |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 |
| InChIKey | InChI | 1.03 | MMOXZBCLCQITDF-UHFFFAOYSA-N |
