N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]adamantane-1-carboxamide
Formula:C26H27NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]adamantane-1-carboxamide |
| MolecularFormula | C26H27NO2 |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)Nc(cc1)ccc1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C26H27NO2/c28-24(11-6-18-4-2-1-3-5-18)22-7-9-23(10-8-22)27-25(29)26-15-19-12-20(16-26)14-21(13-19)17-26/h1-11,19-21H,12-17H2,(H,27,29) |
| InChIK | RBRIYZXTGWXESY-UHFFFAOYSA-N |
| TotalMolweight | 385.505 |
| Molweight | 385.505 |
| MonoisotopicMass | 385.204179 |
| CLogP | 4.9046 |
| CLogS | -6.337 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 296.45 |
| Relative PSA | 0.12663 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 3.2848 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]adamantane-1-carboxamide | 2 - N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]adamantane-1-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off