(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide
Formula:C18H21NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide |
| MolecularFormula | C18H21NO3 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)NCCC1=CCCCC1 |
| InChI | InChI=1S/C18H21NO3/c20-18(19-11-10-14-4-2-1-3-5-14)9-7-15-6-8-16-17(12-15)22-13-21-16/h4,6-9,12H,1-3,5,10-11,13H2,(H,19,20) |
| InChIK | XVTJRPCVMDBYEE-UHFFFAOYSA-N |
| TotalMolweight | 299.369 |
| Molweight | 299.369 |
| MonoisotopicMass | 299.152144 |
| CLogP | 3.6393 |
| CLogS | -4.334 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243 |
| Relative PSA | 0.18313 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -5.263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]prop-2-enamide
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