ethyl 2-[[(2R)-2-ethylhexanoyl]amino]benzoate
Formula:C17H25NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
ethyl 2-[[(2R)-2-ethylhexanoyl]amino]benzoate is a drug-like molecule.
| MolName | ethyl 2-[[(2R)-2-ethylhexanoyl]amino]benzoate |
| MolecularFormula | C17H25NO3 |
| Smiles | CCCC[C@@H](CC)C(Nc(cccc1)c1C(OCC)=O)=O |
| InChI | InChI=1S/C17H25NO3/c1-4-7-10-13(5-2)16(19)18-15-12-9-8-11-14(15)17(20)21-6-3/h8-9,11-13H,4-7,10H2,1-3H3,(H,18,19)/t13-/m1/s1 |
| InChIK | XNLMAARCNGWINP-CYBMUJFWSA-N |
| TotalMolweight | 291.39 |
| Molweight | 291.39 |
| MonoisotopicMass | 291.183444 |
| CLogP | 4.1729 |
| CLogS | -3.909 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 248.3 |
| Relative PSA | 0.19146 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | -5.5979 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 9 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - ethyl 2-[[(2R)-2-ethylhexanoyl]amino]benzoate | 2 - ethyl 2-[[(2R)-2-ethylhexanoyl]amino]benzoate
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