5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide

C26H27NO4 — CID 19244147

About 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide

5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 19244147) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 19244147
• Molecular Formula: C26H27NO4
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.19
• IUPAC Name: 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide
• SMILES: CCc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccc(C4CC4C)o3)c(C)c2c1
• InChI: InChI=1S/C26H27NO4/c1-4-18-7-9-24-22(13-18)17(3)25(31-24)26(28)27(14-19-6-5-11-29-19)15-20-8-10-23(30-20)21-12-16(21)2/h5-11,13,16,21H,4,12,14-15H2,1-3H3
• InChIKey: NERKMJJCNULQCA-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 59.73 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 19244147) is 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)N(Cc3ccco3)Cc3ccc(C4CC4C)o3)c(C)c2c1.

What is the InChIKey of 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide?

The InChIKey is NERKMJJCNULQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-4-18-7-9-24-22(13-18)17(3)25(31-24)26(28)27(14-19-6-5-11-29-19)15-20-8-10-23(30-20)21-12-16(21)2/h5-11,13,16,21H,4,12,14-15H2,1-3H3.

What are the key properties of 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide?

5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-(furan-2-ylmethyl)-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19244147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).