benzyl N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]carbamate
Formula:C21H22N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]carbamate is a drug-like molecule.
| MolName | benzyl N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]carbamate |
| MolecularFormula | C21H22N2O3 |
| Smiles | O=C(/C=C/c1ccccc1)N(CCC1)C1NC(OCc1ccccc1)=O |
| InChI | InChI=1S/C21H22N2O3/c24-20(14-13-17-8-3-1-4-9-17)23-15-7-12-19(23)22-21(25)26-16-18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,22,25)/t19-/m0/s1 |
| InChIK | YTKWGDJYGIPJIQ-IBGZPJMESA-N |
| TotalMolweight | 350.417 |
| Molweight | 350.417 |
| MonoisotopicMass | 350.163043 |
| CLogP | 3.7663 |
| CLogS | -4.041 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 280.82 |
| Relative PSA | 0.18193 |
| PolarSurfaceArea | 58.64 |
| Druglikeness | -11.409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - benzyl N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]carbamate | 2 - benzyl N-[1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]carbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off