(E)-N-benzyl-N-(cyclopropylmethyl)-3-phenylprop-2-enamide
Formula:C20H21NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-N-(cyclopropylmethyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-N-(cyclopropylmethyl)-3-phenylprop-2-enamide |
| MolecularFormula | C20H21NO |
| Smiles | O=C(/C=C/c1ccccc1)N(CC1CC1)Cc1ccccc1 |
| InChI | InChI=1S/C20H21NO/c22-20(14-13-17-7-3-1-4-8-17)21(16-19-11-12-19)15-18-9-5-2-6-10-18/h1-10,13-14,19H,11-12,15-16H2 |
| InChIK | OPIFOGXDUWIHND-UHFFFAOYSA-N |
| TotalMolweight | 291.393 |
| Molweight | 291.393 |
| MonoisotopicMass | 291.162314 |
| CLogP | 3.8366 |
| CLogS | -3.768 |
| H Acceptors | 2 |
| TotalSurfaceArea | 241.61 |
| Relative PSA | 0.068664 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 3.6623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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