N-[2,5-diethoxy-4-(2-methylpropanoylamino)phenyl]benzamide
Formula:C21H26N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2,5-diethoxy-4-(2-methylpropanoylamino)phenyl]benzamide is a drug-like molecule.
| MolName | N-[2,5-diethoxy-4-(2-methylpropanoylamino)phenyl]benzamide |
| MolecularFormula | C21H26N2O4 |
| Smiles | CCOc(c(NC(C(C)C)=O)c1)cc(NC(c2ccccc2)=O)c1OCC |
| InChI | InChI=1S/C21H26N2O4/c1-5-26-18-13-17(23-21(25)15-10-8-7-9-11-15)19(27-6-2)12-16(18)22-20(24)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24)(H,23,25) |
| InChIK | RKDDSYLQSGQZFG-UHFFFAOYSA-N |
| TotalMolweight | 370.447 |
| Molweight | 370.447 |
| MonoisotopicMass | 370.189258 |
| CLogP | 3.8561 |
| CLogS | -4.536 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 300.5 |
| Relative PSA | 0.22962 |
| PolarSurfaceArea | 76.66 |
| Druglikeness | -0.55137 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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