2-ethoxy-N-[(2S)-pentan-2-yl]benzamide
Formula:C14H21NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-ethoxy-N-[(2S)-pentan-2-yl]benzamide is a drug-like molecule.
| MolName | 2-ethoxy-N-[(2S)-pentan-2-yl]benzamide |
| MolecularFormula | C14H21NO2 |
| Smiles | CCC[C@H](C)NC(c(cccc1)c1OCC)=O |
| InChI | InChI=1S/C14H21NO2/c1-4-8-11(3)15-14(16)12-9-6-7-10-13(12)17-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,16)/t11-/m0/s1 |
| InChIK | FHLYNLNAEVNKDS-NSHDSACASA-N |
| TotalMolweight | 235.326 |
| Molweight | 235.326 |
| MonoisotopicMass | 235.157229 |
| CLogP | 3.1091 |
| CLogS | -3.157 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 203.03 |
| Relative PSA | 0.16993 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 0.38703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - 2-ethoxy-N-[(2S)-pentan-2-yl]benzamide | 2 - 2-ethoxy-N-[(2S)-pentan-2-yl]benzamide
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