N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C25H26N2O6 — CID 55620462

About N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 55620462) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
• PubChem CID: 55620462
• Molecular Formula: C25H26N2O6
• Molecular Weight: 450.49 g/mol
• Exact Mass: 450.18
• IUPAC Name: N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
• SMILES: CC1(C)Cc2cccc(OCCNC(=O)COc3cccc(NC(=O)c4ccco4)c3)c2O1
• InChI: InChI=1S/C25H26N2O6/c1-25(2)15-17-6-3-9-20(23(17)33-25)31-13-11-26-22(28)16-32-19-8-4-7-18(14-19)27-24(29)21-10-5-12-30-21/h3-10,12,14H,11,13,15-16H2,1-2H3,(H,26,28)(H,27,29)
• InChIKey: PPMBUOMDWMFYLM-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 99.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.49
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The IUPAC name of N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 55620462) is N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is CC1(C)Cc2cccc(OCCNC(=O)COc3cccc(NC(=O)c4ccco4)c3)c2O1.

What is the InChIKey of N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The InChIKey is PPMBUOMDWMFYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-25(2)15-17-6-3-9-20(23(17)33-25)31-13-11-26-22(28)16-32-19-8-4-7-18(14-19)27-24(29)21-10-5-12-30-21/h3-10,12,14H,11,13,15-16H2,1-2H3,(H,26,28)(H,27,29).

What are the key properties of N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?

N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55620462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).