(E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide

C27H30N2O5 — CID 11305768

About (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide

(E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide (PubChem CID 11305768) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide
• PubChem CID: 11305768
• Molecular Formula: C27H30N2O5
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.22
• IUPAC Name: (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide
• SMILES: CCN(CC)C(=O)/C=C(\C)c1ccc2oc(C(C)=O)c(NC(=O)Cc3ccc(OC)cc3)c2c1
• InChI: InChI=1S/C27H30N2O5/c1-6-29(7-2)25(32)14-17(3)20-10-13-23-22(16-20)26(27(34-23)18(4)30)28-24(31)15-19-8-11-21(33-5)12-9-19/h8-14,16H,6-7,15H2,1-5H3,(H,28,31)/b17-14+
• InChIKey: OPLGNIKQCFBYBU-SAPNQHFASA-N
• XLogP: 5.10
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide?

The IUPAC name of (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide (CID 11305768) is (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide.

What is the SMILES notation for (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide?

The canonical SMILES for (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide is CCN(CC)C(=O)/C=C(\C)c1ccc2oc(C(C)=O)c(NC(=O)Cc3ccc(OC)cc3)c2c1.

What is the InChIKey of (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide?

The InChIKey is OPLGNIKQCFBYBU-SAPNQHFASA-N. The full InChI is InChI=1S/C27H30N2O5/c1-6-29(7-2)25(32)14-17(3)20-10-13-23-22(16-20)26(27(34-23)18(4)30)28-24(31)15-19-8-11-21(33-5)12-9-19/h8-14,16H,6-7,15H2,1-5H3,(H,28,31)/b17-14+.

What are the key properties of (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide?

(E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide has a molecular weight of 462.55 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[2-acetyl-3-[[2-(4-methoxyphenyl)acetyl]amino]-1-benzofuran-5-yl]-N,N-diethylbut-2-enamide is sourced from PubChem (CID 11305768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).