(2S)-2-ethyl-N-(2-phenylethyl)hexanamide
Formula:C16H25NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2S)-2-ethyl-N-(2-phenylethyl)hexanamide is a drug-like molecule.
| MolName | (2S)-2-ethyl-N-(2-phenylethyl)hexanamide |
| MolecularFormula | C16H25NO |
| Smiles | CCCC[C@H](CC)C(NCCc1ccccc1)=O |
| InChI | InChI=1S/C16H25NO/c1-3-5-11-15(4-2)16(18)17-13-12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H,17,18)/t15-/m0/s1 |
| InChIK | YFBYOJKFHKENIG-HNNXBMFYSA-N |
| TotalMolweight | 247.381 |
| Molweight | 247.381 |
| MonoisotopicMass | 247.193614 |
| CLogP | 3.9931 |
| CLogS | -3.396 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 222.05 |
| Relative PSA | 0.11034 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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