3OO
Summary
| Name: | 3-bromo-N-[3-(tert-butylamino)propyl]benzamide |
| Formula: | C14 H21 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 313.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-bromo-N-[3-(tert-butylamino)propyl]benzamide |
| OpenEye OEToolkits | 1.7.6 | 3-bromanyl-N-[3-(tert-butylamino)propyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cc(Br)ccc1)NCCCNC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18) |
| InChIKey | InChI | 1.03 | XUFUVCIZFNREBI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)NCCCNC(=O)c1cccc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)NCCCNC(=O)c1cccc(c1)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)NCCCNC(=O)c1cccc(c1)Br |
