2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one

C27H32N2O7 — CID 71962860

About 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one

2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one (PubChem CID 71962860) has the molecular formula C27H32N2O7 and a molecular weight of 496.56 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
• PubChem CID: 71962860
• Molecular Formula: C27H32N2O7
• Molecular Weight: 496.56 g/mol
• Exact Mass: 496.22
• IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
• SMILES: CCOc1ccc(C2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC
• InChI: InChI=1S/C27H32N2O7/c1-3-35-22-10-7-19(18-23(22)33-2)25-24(21(30)9-8-20-6-4-15-36-20)26(31)27(32)29(25)12-5-11-28-13-16-34-17-14-28/h4,6-10,15,18,25,31H,3,5,11-14,16-17H2,1-2H3
• InChIKey: ITJUZCHWBWEGHL-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 101.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.56
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?

The IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one (CID 71962860) is 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.

What is the SMILES notation for 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?

The canonical SMILES for 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one is CCOc1ccc(C2C(C(=O)C=Cc3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC.

What is the InChIKey of 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?

The InChIKey is ITJUZCHWBWEGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O7/c1-3-35-22-10-7-19(18-23(22)33-2)25-24(21(30)9-8-20-6-4-15-36-20)26(31)27(32)29(25)12-5-11-28-13-16-34-17-14-28/h4,6-10,15,18,25,31H,3,5,11-14,16-17H2,1-2H3.

What are the key properties of 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?

2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one has a molecular weight of 496.56 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethoxy-3-methoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 71962860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).