(E)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenylprop-2-enamide
Formula:C23H26N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenylprop-2-enamide |
| MolecularFormula | C23H26N2O |
| Smiles | O=C(/C=C/c1ccccc1)NC1CC(CC2)N(Cc3ccccc3)C2C1 |
| InChI | InChI=1S/C23H26N2O/c26-23(14-11-18-7-3-1-4-8-18)24-20-15-21-12-13-22(16-20)25(21)17-19-9-5-2-6-10-19/h1-11,14,20-22H,12-13,15-17H2,(H,24,26) |
| InChIK | ZIWBTGSKTDNGHQ-UHFFFAOYSA-N |
| TotalMolweight | 346.472 |
| Molweight | 346.472 |
| MonoisotopicMass | 346.204513 |
| CLogP | 3.703 |
| CLogS | -4.343 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 278.33 |
| Relative PSA | 0.10078 |
| PolarSurfaceArea | 32.34 |
| Druglikeness | 1.4826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenylprop-2-enamide | 2 - (E)-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenylprop-2-enamide
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