1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one

C25H32N2O5 — CID 3584441

About 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one

1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one (PubChem CID 3584441) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 3584441
• Molecular Formula: C25H32N2O5
• Molecular Weight: 440.54 g/mol
• Exact Mass: 440.23
• IUPAC Name: 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
• SMILES: CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccc(OC(C)C)cc1
• InChI: InChI=1S/C25H32N2O5/c1-6-26(7-2)14-15-27-22(18-9-11-19(12-10-18)31-16(3)4)21(24(29)25(27)30)23(28)20-13-8-17(5)32-20/h8-13,16,22,29H,6-7,14-15H2,1-5H3
• InChIKey: IUDUWMWVNWGZJC-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 83.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

The IUPAC name of 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one (CID 3584441) is 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one is CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccc(OC(C)C)cc1.

What is the InChIKey of 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

The InChIKey is IUDUWMWVNWGZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-6-26(7-2)14-15-27-22(18-9-11-19(12-10-18)31-16(3)4)21(24(29)25(27)30)23(28)20-13-8-17(5)32-20/h8-13,16,22,29H,6-7,14-15H2,1-5H3.

What are the key properties of 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one has a molecular weight of 440.54 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3584441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).