N-[(2-butoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
Formula:C20H24N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2-butoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide is a drug-like molecule.
| MolName | N-[(2-butoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide |
| MolecularFormula | C20H24N2O3 |
| Smiles | CCCCOc1c(C=NNC(c(ccc(C)c2)c2OC)=O)cccc1 |
| InChI | InChI=1S/C20H24N2O3/c1-4-5-12-25-18-9-7-6-8-16(18)14-21-22-20(23)17-11-10-15(2)13-19(17)24-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23) |
| InChIK | RMBAZVZZXWJCBE-UHFFFAOYSA-N |
| TotalMolweight | 340.422 |
| Molweight | 340.422 |
| MonoisotopicMass | 340.178693 |
| CLogP | 4.7206 |
| CLogS | -4.941 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.05 |
| Relative PSA | 0.19649 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -1.1578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| StereoCon |
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1 - N-[(2-butoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide | 2 - N-[(2-butoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
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