| MolName | (E)-3-phenyl-N-[8-[[(E)-3-phenylprop-2-enoyl]amino]octyl]prop-2-enamide |
| MolecularFormula | C26H32N2O2 |
| Smiles | O=C(/C=C/c1ccccc1)NCCCCCCCCNC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C26H32N2O2/c29-25(19-17-23-13-7-5-8-14-23)27-21-11-3-1-2-4-12-22-28-26(30)20-18-24-15-9-6-10-16-24/h5-10,13-20H,1-4,11-12,21-22H2,(H,27,29)(H,28,30) |
| InChIK | ZCCQDLOCHSARDX-UHFFFAOYSA-N |
| TotalMolweight | 404.552 |
| Molweight | 404.552 |
| MonoisotopicMass | 404.246378 |
| CLogP | 5.417 |
| CLogS | -5.218 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 354.52 |
| Relative PSA | 0.13822 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -6.2211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 13 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 17 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-phenyl-N-[8-[[(E)-3-phenylprop-2-enoyl]amino]octyl]prop-2-enamide | 2 - (E)-3-phenyl-N-[8-[[(E)-3-phenylprop-2-enoyl]amino]octyl]prop-2-enamide