W18
Summary
| Name: | 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide |
| Formula: | C11 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 208.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-~{N}-[(2~{R})-1-oxidanylbutan-2-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(CC)CO)c1ccc(N)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H16N2O2/c1-2-10(7-14)13-11(15)8-3-5-9(12)6-4-8/h3-6,10,14H,2,7,12H2,1H3,(H,13,15)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | GAMWLCYIWNUQSS-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](CO)NC(=O)c1ccc(N)cc1 |
| SMILES | CACTVS | 3.385 | CC[CH](CO)NC(=O)c1ccc(N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](CO)NC(=O)c1ccc(cc1)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CO)NC(=O)c1ccc(cc1)N |
