(Z)-N-benzyl-3-(benzylamino)but-2-enamide
Formula:C18H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-benzyl-3-(benzylamino)but-2-enamide is a drug-like molecule.
| MolName | (Z)-N-benzyl-3-(benzylamino)but-2-enamide |
| MolecularFormula | C18H20N2O |
| Smiles | C/C(/NCc1ccccc1)=C/C(NCc1ccccc1)=O |
| InChI | InChI=1S/C18H20N2O/c1-15(19-13-16-8-4-2-5-9-16)12-18(21)20-14-17-10-6-3-7-11-17/h2-12,19H,13-14H2,1H3,(H,20,21) |
| InChIK | PIBHBBWFZYOPDH-UHFFFAOYSA-N |
| TotalMolweight | 280.37 |
| Molweight | 280.37 |
| MonoisotopicMass | 280.157563 |
| CLogP | 2.9344 |
| CLogS | -3.332 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 238.18 |
| Relative PSA | 0.15098 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -0.72723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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