(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one

C28H30N2O6 — CID 28798032

About (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one

(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one (PubChem CID 28798032) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one
• PubChem CID: 28798032
• Molecular Formula: C28H30N2O6
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.21
• IUPAC Name: (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one
• SMILES: Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1
• InChI: InChI=1S/C28H30N2O6/c1-19-7-4-5-8-22(19)36-18-17-34-21-12-10-20(11-13-21)25-24(26(31)23-9-6-16-35-23)27(32)28(33)30(25)15-14-29(2)3/h4-13,16,25,32H,14-15,17-18H2,1-3H3/t25-/m1/s1
• InChIKey: QHLLPLVIMRLNEX-RUZDIDTESA-N
• XLogP: 4.19
• TPSA: 92.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one?

The IUPAC name of (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one (CID 28798032) is (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one.

What is the SMILES notation for (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one?

The canonical SMILES for (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one is Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1.

What is the InChIKey of (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one?

The InChIKey is QHLLPLVIMRLNEX-RUZDIDTESA-N. The full InChI is InChI=1S/C28H30N2O6/c1-19-7-4-5-8-22(19)36-18-17-34-21-12-10-20(11-13-21)25-24(26(31)23-9-6-16-35-23)27(32)28(33)30(25)15-14-29(2)3/h4-13,16,25,32H,14-15,17-18H2,1-3H3/t25-/m1/s1.

What are the key properties of (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one?

(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one has a molecular weight of 490.56 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 28798032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).