K6M
Summary
| Name: | N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide |
| Formula: | C15 H21 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 302.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-(~{tert}-butylamino)propyl]-3-(trifluoromethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(CCCNC(C)(C)C)C(c1cc(ccc1)C(F)(F)F)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H21F3N2O/c1-14(2,3)20-9-5-8-19-13(21)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,20H,5,8-9H2,1-3H3,(H,19,21) |
| InChIKey | InChI | 1.03 | UTBTYWGTMLPLJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)NCCCNC(=O)c1cccc(c1)C(F)(F)F |
