| MolName | 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl N-cyclohexylcarbamate |
| MolecularFormula | C18H24N2O3 |
| Smiles | O=C(/C=C/c1ccccc1)NCCOC(NC1CCCCC1)=O |
| InChI | InChI=1S/C18H24N2O3/c21-17(12-11-15-7-3-1-4-8-15)19-13-14-23-18(22)20-16-9-5-2-6-10-16/h1,3-4,7-8,11-12,16H,2,5-6,9-10,13-14H2,(H,19,21)(H,20,22) |
| InChIK | KTZWPVYBMXMKKD-UHFFFAOYSA-N |
| TotalMolweight | 316.4 |
| Molweight | 316.4 |
| MonoisotopicMass | 316.178693 |
| CLogP | 2.6765 |
| CLogS | -3.947 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263.5 |
| Relative PSA | 0.22391 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -17.993 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl N-cyclohexylcarbamate | 2 - 2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl N-cyclohexylcarbamate