N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
Formula:C15H18N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C15H18N4O4 |
| Smiles | NC(COc1ccc(/C=N\NC(C(N2CCCC2)=O)=O)cc1)=O |
| InChI | InChI=1S/C15H18N4O4/c16-13(20)10-23-12-5-3-11(4-6-12)9-17-18-14(21)15(22)19-7-1-2-8-19/h3-6,9H,1-2,7-8,10H2,(H2,16,20)(H,18,21) |
| InChIK | MNAHYNQHARUZGJ-UHFFFAOYSA-N |
| TotalMolweight | 318.332 |
| Molweight | 318.332 |
| MonoisotopicMass | 318.132806 |
| CLogP | 0.1549 |
| CLogS | -2.211 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 246.85 |
| Relative PSA | 0.36828 |
| PolarSurfaceArea | 114.09 |
| Druglikeness | 5.5911 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide | 2 - N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
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