9DZ
Summary
| Name: | (2~{S})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide |
| Formula: | C13 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 220.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-5-(3,5-dimethylphenyl)pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O/c1-9-6-10(2)8-11(7-9)4-3-5-12(14)13(15)16/h6-8,12H,3-5,14H2,1-2H3,(H2,15,16)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | IJXWDSBVULACAL-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)cc(CCC[C@H](N)C(N)=O)c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)cc(CCC[CH](N)C(N)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1)CCC[C@@H](C(=O)N)N)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(cc(c1)CCCC(C(=O)N)N)C |
