A1AA1
Summary
| Name: | N-{4-[(R)-cyclohexyl(hydroxy)methyl]phenyl}acetamide |
| Formula: | C15 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 247.333 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{4-[(R)-cyclohexyl(hydroxy)methyl]phenyl}acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[(~{R})-cyclohexyl(oxidanyl)methyl]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(c1ccc(NC(C)=O)cc1)C1CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C15H21NO2/c1-11(17)16-14-9-7-13(8-10-14)15(18)12-5-3-2-4-6-12/h7-10,12,15,18H,2-6H2,1H3,(H,16,17)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | JGDCZRXYVXBBMP-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)[C@H](O)C2CCCCC2 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(cc1)[CH](O)C2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)[C@@H](C2CCCCC2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)C(C2CCCCC2)O |
