A1CVO
Summary
| Name: | (2S)-N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-yl)propanamide |
| Formula: | C15 H22 N2 O |
| Formal charge: | 0 |
| Formula weight: | 246.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-yl)propanamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-~{N}-(2,6-dimethylphenyl)-2-pyrrolidin-1-yl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1c(C)cccc1C)C(C)N1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13(3)17-9-4-5-10-17/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | MGBIINXEYXQNSC-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N1CCCC1)C(=O)Nc2c(C)cccc2C |
| SMILES | CACTVS | 3.385 | C[CH](N1CCCC1)C(=O)Nc2c(C)cccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1NC(=O)[C@H](C)N2CCCC2)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(c1NC(=O)C(C)N2CCCC2)C |
