A1CA3
Summary
| Name: | N-[(3R)-2-oxoazepan-3-yl]octanamide |
| Formula: | C14 H26 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 254.368 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(3R)-2-oxoazepan-3-yl]octanamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]octanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CCCCCCCC(=O)NC1CCCCNC1=O |
| InChI | InChI | 1.06 | InChI=1S/C14H26N2O2/c1-2-3-4-5-6-10-13(17)16-12-9-7-8-11-15-14(12)18/h12H,2-11H2,1H3,(H,15,18)(H,16,17) |
| InChIKey | InChI | 1.06 | MVDRULJBGMOKJF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)N[C@@H]1CCCCNC1=O |
| SMILES | CACTVS | 3.385 | CCCCCCCC(=O)N[CH]1CCCCNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCC(=O)N[C@@H]1CCCCNC1=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCC(=O)NC1CCCCNC1=O |
