(E)-N-benzyl-N-[2-[benzyl-[(E)-3-phenylprop-2-enoyl]amino]ethyl]-3-phenylprop-2-enamide
Formula:C34H32N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-phenylprop-2-enoyl]amino]ethyl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-benzyl-N-[2-[benzyl-[(E)-3-phenylprop-2-enoyl]amino]ethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C34H32N2O2 |
| Smiles | O=C(/C=C/c1ccccc1)N(CCN(Cc1ccccc1)C(/C=C/c1ccccc1)=O)Cc1ccccc1 |
| InChI | InChI=1S/C34H32N2O2/c37-33(23-21-29-13-5-1-6-14-29)35(27-31-17-9-3-10-18-31)25-26-36(28-32-19-11-4-12-20-32)34(38)24-22-30-15-7-2-8-16-30/h1-24H,25-28H2 |
| InChIK | ZWLZYXLQJMPUIU-UHFFFAOYSA-N |
| TotalMolweight | 500.64 |
| Molweight | 500.64 |
| MonoisotopicMass | 500.246378 |
| CLogP | 6.0598 |
| CLogS | -5.52 |
| H Acceptors | 4 |
| TotalSurfaceArea | 416.68 |
| Relative PSA | 0.079629 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 23 |
| Amides | 2 |
| StereoCon |
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1 - (E)-N-benzyl-N-[2-[benzyl-[(E)-3-phenylprop-2-enoyl]amino]ethyl]-3-phenylprop-2-enamide | 2 - (E)-N-benzyl-N-[2-[benzyl-[(E)-3-phenylprop-2-enoyl]amino]ethyl]-3-phenylprop-2-enamide
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