(E)-2-cyano-N-cyclohexyl-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide
Formula:C23H29N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclohexyl-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclohexyl-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide |
| MolecularFormula | C23H29N3O4 |
| Smiles | N#C/C(/C(NC1CCCCC1)=O)=C\c(cc1)ccc1OCC(NCC1OCCC1)=O |
| InChI | InChI=1S/C23H29N3O4/c24-14-18(23(28)26-19-5-2-1-3-6-19)13-17-8-10-20(11-9-17)30-16-22(27)25-15-21-7-4-12-29-21/h8-11,13,19,21H,1-7,12,15-16H2,(H,25,27)(H,26,28)/t21-/m1/s1 |
| InChIK | ODRITFSRQKRTOE-OAQYLSRUSA-N |
| TotalMolweight | 411.5 |
| Molweight | 411.5 |
| MonoisotopicMass | 411.215807 |
| CLogP | 2.1488 |
| CLogS | -4.307 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 333.7 |
| Relative PSA | 0.24741 |
| PolarSurfaceArea | 100.45 |
| Druglikeness | -5.6202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-2-cyano-N-cyclohexyl-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide | 2 - (E)-2-cyano-N-cyclohexyl-3-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]prop-2-enamide
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