(2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
Formula:C26H34N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one is a drug-like molecule.
| MolName | (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one |
| MolecularFormula | C26H34N2O6 |
| Smiles | CC(C)CCOc(ccc([C@H](C(C(c1ccco1)=O)=C1O)N(CCCN(C)C)C1=O)c1)c1OC |
| InChI | InChI=1S/C26H34N2O6/c1-17(2)11-15-34-19-10-9-18(16-21(19)32-5)23-22(24(29)20-8-6-14-33-20)25(30)26(31)28(23)13-7-12-27(3)4/h6,8-10,14,16-17,23,30H,7,11-13,15H2,1-5H3/t23-/m1/s1 |
| InChIK | DMINLHDXIUXMEJ-HSZRJFAPSA-N |
| TotalMolweight | 470.564 |
| Molweight | 470.564 |
| MonoisotopicMass | 470.241688 |
| CLogP | 2.5603 |
| CLogS | -3.123 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 369.68 |
| Relative PSA | 0.21746 |
| PolarSurfaceArea | 92.45 |
| Druglikeness | 6.9906 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | limit! 4-acyl-3-azoline-2-one-3-ol |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 12 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one | 2 - (2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
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