(E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylprop-2-enamide
Formula:C16H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C16H20N2O |
| Smiles | O=C(/C=C/c1ccccc1)NC1C(CC2)CCN2C1 |
| InChI | InChI=1S/C16H20N2O/c19-16(7-6-13-4-2-1-3-5-13)17-15-12-18-10-8-14(15)9-11-18/h1-7,14-15H,8-12H2,(H,17,19)/t15-/m0/s1 |
| InChIK | ODFSOOCVJPIZNA-HNNXBMFYSA-N |
| TotalMolweight | 256.348 |
| Molweight | 256.348 |
| MonoisotopicMass | 256.157563 |
| CLogP | 2.061 |
| CLogS | -2.454 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 206.07 |
| Relative PSA | 0.13612 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 5.1264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylprop-2-enamide | 2 - (E)-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-phenylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off