N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-[(4-benzylpiperidin-1-yl)methyl]benzamide
Formula:C29H32N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-[(4-benzylpiperidin-1-yl)methyl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-[(4-benzylpiperidin-1-yl)methyl]benzamide |
| MolecularFormula | C29H32N4O3 |
| Smiles | NC(COc1ccc(/C=N\NC(c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)=O)cc1)=O |
| InChI | InChI=1S/C29H32N4O3/c30-28(34)21-36-27-12-8-24(9-13-27)19-31-32-29(35)26-10-6-25(7-11-26)20-33-16-14-23(15-17-33)18-22-4-2-1-3-5-22/h1-13,19,23H,14-18,20-21H2,(H2,30,34)(H,32,35) |
| InChIK | ZHISQAHTUWYBEZ-UHFFFAOYSA-N |
| TotalMolweight | 484.598 |
| Molweight | 484.598 |
| MonoisotopicMass | 484.247441 |
| CLogP | 4.3309 |
| CLogS | -5.355 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 388.64 |
| Relative PSA | 0.20037 |
| PolarSurfaceArea | 97.02 |
| Druglikeness | 8.6096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-[(4-benzylpiperidin-1-yl)methyl]benzamide | 2 - N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-[(4-benzylpiperidin-1-yl)methyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off