N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-3-methoxybenzamide
Formula:C22H26N2O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-3-methoxybenzamide is a drug-like molecule.
| MolName | N-[4-(cyclopropanecarbonylamino)-2,5-diethoxyphenyl]-3-methoxybenzamide |
| MolecularFormula | C22H26N2O5 |
| Smiles | CCOc(c(NC(C1CC1)=O)c1)cc(NC(c2cc(OC)ccc2)=O)c1OCC |
| InChI | InChI=1S/C22H26N2O5/c1-4-28-19-13-18(24-22(26)15-7-6-8-16(11-15)27-3)20(29-5-2)12-17(19)23-21(25)14-9-10-14/h6-8,11-14H,4-5,9-10H2,1-3H3,(H,23,25)(H,24,26) |
| InChIK | BYVYJIZWIUSOBT-UHFFFAOYSA-N |
| TotalMolweight | 398.457 |
| Molweight | 398.457 |
| MonoisotopicMass | 398.184173 |
| CLogP | 3.4315 |
| CLogS | -4.64 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 312.26 |
| Relative PSA | 0.25299 |
| PolarSurfaceArea | 85.89 |
| Druglikeness | 1.54 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 1 |
| Amides | 2 |
| StereoCon |
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