| MolName | (E)-2-[(2,2-diphenylacetyl)amino]-N-(3-hydroxypropyl)-3-phenylprop-2-enamide |
| MolecularFormula | C26H26N2O3 |
| Smiles | OCCCNC(/C(/NC(C(c1ccccc1)c1ccccc1)=O)=C\c1ccccc1)=O |
| InChI | InChI=1S/C26H26N2O3/c29-18-10-17-27-25(30)23(19-20-11-4-1-5-12-20)28-26(31)24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,24,29H,10,17-18H2,(H,27,30)(H,28,31) |
| InChIK | GUHVDSBBIAUFPJ-UHFFFAOYSA-N |
| TotalMolweight | 414.503 |
| Molweight | 414.503 |
| MonoisotopicMass | 414.194343 |
| CLogP | 4.1748 |
| CLogS | -4.543 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 336.04 |
| Relative PSA | 0.1848 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | 2.7217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| Amides | 2 |
| StereoCon |
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1 - (E)-2-[(2,2-diphenylacetyl)amino]-N-(3-hydroxypropyl)-3-phenylprop-2-enamide | 2 - (E)-2-[(2,2-diphenylacetyl)amino]-N-(3-hydroxypropyl)-3-phenylprop-2-enamide