(E)-N-(oxolan-2-ylmethyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
Formula:C21H23NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(oxolan-2-ylmethyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(oxolan-2-ylmethyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide |
| MolecularFormula | C21H23NO3 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc1ccccc1)NCC1OCCC1 |
| InChI | InChI=1S/C21H23NO3/c23-21(22-15-20-7-4-14-24-20)13-10-17-8-11-19(12-9-17)25-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,20H,4,7,14-16H2,(H,22,23)/t20-/m1/s1 |
| InChIK | HUHGZPUODRNVPT-HXUWFJFHSA-N |
| TotalMolweight | 337.418 |
| Molweight | 337.418 |
| MonoisotopicMass | 337.167794 |
| CLogP | 3.0755 |
| CLogS | -4.017 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.53 |
| Relative PSA | 0.16092 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -0.81013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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