A1C94
Summary
| Name: | 2-amino-N-[(2S)-butan-2-yl]benzamide |
| Formula: | C11 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 192.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-amino-N-[(2S)-butan-2-yl]benzamide |
| OpenEye OEToolkits | 3.1.0.0 | 2-azanyl-~{N}-[(2~{S})-butan-2-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NC(C)CC)c1ccccc1N |
| InChI | InChI | 1.06 | InChI=1S/C11H16N2O/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12/h4-8H,3,12H2,1-2H3,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | UOKULICTTSTSHO-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)NC(=O)c1ccccc1N |
| SMILES | CACTVS | 3.385 | CC[CH](C)NC(=O)c1ccccc1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[C@H](C)NC(=O)c1ccccc1N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(C)NC(=O)c1ccccc1N |
