1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one

C25H26N2O7 — CID 21008399

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

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 21008399) has the molecular formula C25H26N2O7 and a molecular weight of 466.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
• PubChem CID: 21008399
• Molecular Formula: C25H26N2O7
• Molecular Weight: 466.49 g/mol
• Exact Mass: 466.17
• IUPAC Name: 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
• SMILES: CCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CC(c2ccco2)N(C)C)ccc1O
• InChI: InChI=1S/C25H26N2O7/c1-4-32-20-13-15(9-10-17(20)28)22-21(23(29)19-8-6-12-34-19)24(30)25(31)27(22)14-16(26(2)3)18-7-5-11-33-18/h5-13,16,22,28,30H,4,14H2,1-3H3
• InChIKey: BMNTTZPGEKZYFF-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 116.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.49
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one (CID 21008399) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one.

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

The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one is CCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CC(c2ccco2)N(C)C)ccc1O.

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

The InChIKey is BMNTTZPGEKZYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O7/c1-4-32-20-13-15(9-10-17(20)28)22-21(23(29)19-8-6-12-34-19)24(30)25(31)27(22)14-16(26(2)3)18-7-5-11-33-18/h5-13,16,22,28,30H,4,14H2,1-3H3.

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

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 466.49 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 21008399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).