N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
Formula:C15H18N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide |
| MolecularFormula | C15H18N4O3 |
| Smiles | N#CCOc1ccc(/C=N\NC(CN2CCOCC2)=O)cc1 |
| InChI | InChI=1S/C15H18N4O3/c16-5-8-22-14-3-1-13(2-4-14)11-17-18-15(20)12-19-6-9-21-10-7-19/h1-4,11H,6-10,12H2,(H,18,20) |
| InChIK | CHNONHAFTRGMIG-UHFFFAOYSA-N |
| TotalMolweight | 302.333 |
| Molweight | 302.333 |
| MonoisotopicMass | 302.137891 |
| CLogP | 0.6022 |
| CLogS | -2.207 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 248.3 |
| Relative PSA | 0.29448 |
| PolarSurfaceArea | 86.95 |
| Druglikeness | 1.1536 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide | 2 - N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off