2-methoxy-N-[(2R)-pentan-2-yl]benzamide
Formula:C13H19NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-methoxy-N-[(2R)-pentan-2-yl]benzamide is a drug-like molecule.
| MolName | 2-methoxy-N-[(2R)-pentan-2-yl]benzamide |
| MolecularFormula | C13H19NO2 |
| Smiles | CCC[C@@H](C)NC(c(cccc1)c1OC)=O |
| InChI | InChI=1S/C13H19NO2/c1-4-7-10(2)14-13(15)11-8-5-6-9-12(11)16-3/h5-6,8-10H,4,7H2,1-3H3,(H,14,15)/t10-/m1/s1 |
| InChIK | MZNRIVNAMOMSEE-SNVBAGLBSA-N |
| TotalMolweight | 221.299 |
| Molweight | 221.299 |
| MonoisotopicMass | 221.141579 |
| CLogP | 2.7028 |
| CLogS | -2.857 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 189.27 |
| Relative PSA | 0.18228 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 1.818 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - 2-methoxy-N-[(2R)-pentan-2-yl]benzamide | 2 - 2-methoxy-N-[(2R)-pentan-2-yl]benzamide
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