| MolName | N-[(E)-3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide |
| MolecularFormula | C19H20N2O3 |
| Smiles | OCCCNC(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)=O |
| InChI | InChI=1S/C19H20N2O3/c22-13-7-12-20-19(24)17(14-15-8-3-1-4-9-15)21-18(23)16-10-5-2-6-11-16/h1-6,8-11,14,22H,7,12-13H2,(H,20,24)(H,21,23) |
| InChIK | QMQQCGZRGNQJCQ-UHFFFAOYSA-N |
| TotalMolweight | 324.379 |
| Molweight | 324.379 |
| MonoisotopicMass | 324.147393 |
| CLogP | 2.6491 |
| CLogS | -3.429 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 263.78 |
| Relative PSA | 0.23542 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | 1.6304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(E)-3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide