(E)-2-cyano-N-cyclopentyl-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enamide
Formula:C23H24N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclopentyl-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclopentyl-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C23H24N2O3 |
| Smiles | N#C/C(/C(NC1CCCC1)=O)=C\c(cc1)ccc1OCCOc1ccccc1 |
| InChI | InChI=1S/C23H24N2O3/c24-17-19(23(26)25-20-6-4-5-7-20)16-18-10-12-22(13-11-18)28-15-14-27-21-8-2-1-3-9-21/h1-3,8-13,16,20H,4-7,14-15H2,(H,25,26) |
| InChIK | HWAOYNDHZOJTHI-UHFFFAOYSA-N |
| TotalMolweight | 376.455 |
| Molweight | 376.455 |
| MonoisotopicMass | 376.178693 |
| CLogP | 3.8483 |
| CLogS | -4.835 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 310.21 |
| Relative PSA | 0.18716 |
| PolarSurfaceArea | 71.35 |
| Druglikeness | -10.589 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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