| MolName | (2R)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide |
| MolecularFormula | C22H25N3O4 |
| Smiles | CCOc(cccc1)c1NC([C@@H](CCC1)N1C(Nc1cc(C(C)=O)ccc1)=O)=O |
| InChI | InChI=1S/C22H25N3O4/c1-3-29-20-12-5-4-10-18(20)24-21(27)19-11-7-13-25(19)22(28)23-17-9-6-8-16(14-17)15(2)26/h4-6,8-10,12,14,19H,3,7,11,13H2,1-2H3,(H,23,28)(H,24,27)/t19-/m1/s1 |
| InChIK | VEWYZYXRQHNOOW-LJQANCHMSA-N |
| TotalMolweight | 395.458 |
| Molweight | 395.458 |
| MonoisotopicMass | 395.184507 |
| CLogP | 3.0681 |
| CLogS | -4.815 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 308.05 |
| Relative PSA | 0.24538 |
| PolarSurfaceArea | 87.74 |
| Druglikeness | 5.3157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Amides | 3 |
| StereoCon | this enantiomer |
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1 - (2R)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide | 2 - (2R)-1-N-(3-acetylphenyl)-2-N-(2-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide