N'-[(E)-benzylideneamino]-N-(2-phenylethyl)propanediamide
Formula:C18H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(E)-benzylideneamino]-N-(2-phenylethyl)propanediamide is a drug-like molecule.
| MolName | N'-[(E)-benzylideneamino]-N-(2-phenylethyl)propanediamide |
| MolecularFormula | C18H19N3O2 |
| Smiles | O=C(CC(N/N=C/c1ccccc1)=O)NCCc1ccccc1 |
| InChI | InChI=1S/C18H19N3O2/c22-17(19-12-11-15-7-3-1-4-8-15)13-18(23)21-20-14-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,19,22)(H,21,23) |
| InChIK | IMCAXEGJXHLBDR-UHFFFAOYSA-N |
| TotalMolweight | 309.368 |
| Molweight | 309.368 |
| MonoisotopicMass | 309.147727 |
| CLogP | 2.7378 |
| CLogS | -3.723 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 257.48 |
| Relative PSA | 0.23501 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.5045 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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