K6S
Summary
| Name: | N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide |
| Formula: | C17 H28 N2 O |
| Formal charge: | 0 |
| Formula weight: | 276.417 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-(~{tert}-butylamino)propyl]-3-propan-2-yl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(CCCNC(C)(C)C)C(c1cc(C(C)C)ccc1)=O |
| InChI | InChI | 1.03 | InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20) |
| InChIKey | InChI | 1.03 | CNTJLQUUYDXEFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C |
| SMILES | CACTVS | 3.385 | CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1cccc(c1)C(=O)NCCCNC(C)(C)C |
