N-(2-adamantyl)-3,4,5-triethoxybenzamide
Formula:C23H33NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-adamantyl)-3,4,5-triethoxybenzamide is a drug-like molecule.
| MolName | N-(2-adamantyl)-3,4,5-triethoxybenzamide |
| MolecularFormula | C23H33NO4 |
| Smiles | CCOc1cc(C(NC2C3CC(C4)CC2CC4C3)=O)cc(OCC)c1OCC |
| InChI | InChI=1S/C23H33NO4/c1-4-26-19-12-18(13-20(27-5-2)22(19)28-6-3)23(25)24-21-16-8-14-7-15(10-16)11-17(21)9-14/h12-17,21H,4-11H2,1-3H3,(H,24,25) |
| InChIK | WFGBTDGKIJCKDH-UHFFFAOYSA-N |
| TotalMolweight | 387.518 |
| Molweight | 387.518 |
| MonoisotopicMass | 387.240959 |
| CLogP | 4.1538 |
| CLogS | -4.961 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.33 |
| Relative PSA | 0.18086 |
| PolarSurfaceArea | 56.79 |
| Druglikeness | 0.51097 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 19 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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