N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide
Formula:C23H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide |
| MolecularFormula | C23H25N3O3 |
| Smiles | O=C(CNC(COc1cc(CCCC2)c2cc1)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C23H25N3O3/c27-22(26-25-14-6-9-18-7-2-1-3-8-18)16-24-23(28)17-29-21-13-12-19-10-4-5-11-20(19)15-21/h1-3,6-9,12-15H,4-5,10-11,16-17H2,(H,24,28)(H,26,27) |
| InChIK | BRRJXYCZZMKKTG-UHFFFAOYSA-N |
| TotalMolweight | 391.47 |
| Molweight | 391.47 |
| MonoisotopicMass | 391.189592 |
| CLogP | 3.0353 |
| CLogS | -4.652 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 321.76 |
| Relative PSA | 0.21914 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -0.046277 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide | 2 - N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetyl]amino]acetamide
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