| MolName | (E)-N-[2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]-3-phenylprop-2-enamide |
| MolecularFormula | C21H22N2O3 |
| Smiles | OC(CNC(/C=C/c1ccccc1)=O)CNC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C21H22N2O3/c24-19(15-22-20(25)13-11-17-7-3-1-4-8-17)16-23-21(26)14-12-18-9-5-2-6-10-18/h1-14,19,24H,15-16H2,(H,22,25)(H,23,26) |
| InChIK | DHUPBLNOVKTJMM-UHFFFAOYSA-N |
| TotalMolweight | 350.417 |
| Molweight | 350.417 |
| MonoisotopicMass | 350.163043 |
| CLogP | 2.1232 |
| CLogS | -3.469 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 290.81 |
| Relative PSA | 0.21354 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | 1.9035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 14 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-[2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-hydroxy-3-[[(E)-3-phenylprop-2-enoyl]amino]propyl]-3-phenylprop-2-enamide