K6P
Summary
| Name: | N-[3-(tert-butylamino)propyl]-3-iodobenzamide |
| Formula: | C14 H21 I N2 O |
| Formal charge: | 0 |
| Formula weight: | 360.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[3-(tert-butylamino)propyl]-3-iodobenzamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-(~{tert}-butylamino)propyl]-3-iodanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(c1cc(ccc1)I)=O)CCCNC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H21IN2O/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 | YKQSWTFGSUNNEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)NCCCNC(=O)c1cccc(I)c1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)NCCCNC(=O)c1cccc(I)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)NCCCNC(=O)c1cccc(c1)I |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)NCCCNC(=O)c1cccc(c1)I |
