(E)-N-benzyl-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide
Formula:C24H25N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide |
| MolecularFormula | C24H25N3O4 |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C\c(cc1)ccc1OCC(NCC1OCCC1)=O |
| InChI | InChI=1S/C24H25N3O4/c25-14-20(24(29)27-15-19-5-2-1-3-6-19)13-18-8-10-21(11-9-18)31-17-23(28)26-16-22-7-4-12-30-22/h1-3,5-6,8-11,13,22H,4,7,12,15-17H2,(H,26,28)(H,27,29)/t22-/m1/s1 |
| InChIK | VTZQXJAAXYCNRI-JOCHJYFZSA-N |
| TotalMolweight | 419.48 |
| Molweight | 419.48 |
| MonoisotopicMass | 419.184507 |
| CLogP | 2.0112 |
| CLogS | -4.056 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 339.42 |
| Relative PSA | 0.24324 |
| PolarSurfaceArea | 100.45 |
| Druglikeness | -2.3958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
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1 - (E)-N-benzyl-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide | 2 - (E)-N-benzyl-2-cyano-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide
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