N-(1-adamantyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
Formula:C24H33N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1-adamantyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is a drug-like molecule.
| MolName | N-(1-adamantyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide |
| MolecularFormula | C24H33N3O |
| Smiles | O=C(NC1(CC(C2)C3)CC3CC2C1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C24H33N3O/c28-23(25-24-16-20-13-21(17-24)15-22(14-20)18-24)27-11-9-26(10-12-27)8-4-7-19-5-2-1-3-6-19/h1-7,20-22H,8-18H2,(H,25,28) |
| InChIK | BAPDHCWQZAEOFY-UHFFFAOYSA-N |
| TotalMolweight | 379.546 |
| Molweight | 379.546 |
| MonoisotopicMass | 379.262362 |
| CLogP | 3.983 |
| CLogS | -4.012 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 294.84 |
| Relative PSA | 0.10718 |
| PolarSurfaceArea | 35.58 |
| Druglikeness | 8.0712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 16 |
| Symmetricatoms | 10 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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