2-oxo-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide
Formula:C23H26N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-oxo-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | 2-oxo-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C23H26N4O4 |
| Smiles | O=C(COc1ccc(/C=N\NC(C(N2CCCC2)=O)=O)cc1)NCCc1ccccc1 |
| InChI | InChI=1S/C23H26N4O4/c28-21(24-13-12-18-6-2-1-3-7-18)17-31-20-10-8-19(9-11-20)16-25-26-22(29)23(30)27-14-4-5-15-27/h1-3,6-11,16H,4-5,12-15,17H2,(H,24,28)(H,26,29) |
| InChIK | ZIQHUJDMBLXZLZ-UHFFFAOYSA-N |
| TotalMolweight | 422.483 |
| Molweight | 422.483 |
| MonoisotopicMass | 422.195406 |
| CLogP | 2.3546 |
| CLogS | -3.562 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 337.07 |
| Relative PSA | 0.2584 |
| PolarSurfaceArea | 100.1 |
| Druglikeness | 5.6711 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - 2-oxo-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide | 2 - 2-oxo-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide
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