1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one

C27H30N2O4 — CID 4864233

About 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one

1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one (PubChem CID 4864233) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
• PubChem CID: 4864233
• Molecular Formula: C27H30N2O4
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.22
• IUPAC Name: 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
• SMILES: CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(C)ccc3o2)C1c1ccccc1
• InChI: InChI=1S/C27H30N2O4/c1-4-28(5-2)14-9-15-29-24(19-10-7-6-8-11-19)23(26(31)27(29)32)25(30)22-17-20-16-18(3)12-13-21(20)33-22/h6-8,10-13,16-17,24,31H,4-5,9,14-15H2,1-3H3
• InChIKey: FXNZFMNBRUVYCN-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 73.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?

The IUPAC name of 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one (CID 4864233) is 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one.

What is the SMILES notation for 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?

The canonical SMILES for 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one is CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(C)ccc3o2)C1c1ccccc1.

What is the InChIKey of 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?

The InChIKey is FXNZFMNBRUVYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-4-28(5-2)14-9-15-29-24(19-10-7-6-8-11-19)23(26(31)27(29)32)25(30)22-17-20-16-18(3)12-13-21(20)33-22/h6-8,10-13,16-17,24,31H,4-5,9,14-15H2,1-3H3.

What are the key properties of 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one?

1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one has a molecular weight of 446.55 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(diethylamino)propyl]-4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 4864233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).