(E)-N-benzyl-N-(cyclobutylmethyl)-3-naphthalen-1-ylprop-2-enamide
Formula:C25H25NO
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-benzyl-N-(cyclobutylmethyl)-3-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-benzyl-N-(cyclobutylmethyl)-3-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C25H25NO |
| Smiles | O=C(/C=C/c1cccc2ccccc12)N(CC1CCC1)Cc1ccccc1 |
| InChI | InChI=1S/C25H25NO/c27-25(17-16-23-14-7-13-22-12-4-5-15-24(22)23)26(19-21-10-6-11-21)18-20-8-2-1-3-9-20/h1-5,7-9,12-17,21H,6,10-11,18-19H2 |
| InChIK | PXBDQXOTSIGKNV-UHFFFAOYSA-N |
| TotalMolweight | 355.48 |
| Molweight | 355.48 |
| MonoisotopicMass | 355.193614 |
| CLogP | 5.373 |
| CLogS | -5.644 |
| H Acceptors | 2 |
| TotalSurfaceArea | 289.97 |
| Relative PSA | 0.057213 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 1.8907 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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