(E)-N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C22H25NO2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C22H25NO2 |
| Smiles | O=C(/C=C/c1cccc2ccccc12)N(CC1CC1)CC1OCCC1 |
| InChI | InChI=1S/C22H25NO2/c24-22(23(15-17-10-11-17)16-20-8-4-14-25-20)13-12-19-7-3-6-18-5-1-2-9-21(18)19/h1-3,5-7,9,12-13,17,20H,4,8,10-11,14-16H2/t20-/m1/s1 |
| InChIK | BWGXYIDPSOOZNZ-HXUWFJFHSA-N |
| TotalMolweight | 335.446 |
| Molweight | 335.446 |
| MonoisotopicMass | 335.188529 |
| CLogP | 3.9127 |
| CLogS | -4.736 |
| H Acceptors | 3 |
| TotalSurfaceArea | 266.73 |
| Relative PSA | 0.099689 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | 1.585 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 10 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon | racemate |
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