5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide

C42H44N2O6 — CID 11549258

About 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide

5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 11549258) has the molecular formula C42H44N2O6 and a molecular weight of 672.82 g/mol. Its IUPAC name is 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
• PubChem CID: 11549258
• Molecular Formula: C42H44N2O6
• Molecular Weight: 672.82 g/mol
• Exact Mass: 672.32
• IUPAC Name: 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide
• SMILES: CC1=C(C(=O)NCCOCCOCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1
• InChI: InChI=1S/C42H44N2O6/c1-31-37(29-41(49-31,33-15-7-3-8-16-33)34-17-9-4-10-18-34)39(45)43-23-25-47-27-28-48-26-24-44-40(46)38-30-42(50-32(38)2,35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-22H,23-30H2,1-2H3,(H,43,45)(H,44,46)
• InChIKey: KFIGLRHGIZNHSY-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 95.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.82
LogP ≤ 5	6.53
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 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?

The IUPAC name of 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide (CID 11549258) is 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?

The canonical SMILES for 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide is CC1=C(C(=O)NCCOCCOCCNC(=O)C2=C(C)OC(c3ccccc3)(c3ccccc3)C2)CC(c2ccccc2)(c2ccccc2)O1.

What is the InChIKey of 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?

The InChIKey is KFIGLRHGIZNHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N2O6/c1-31-37(29-41(49-31,33-15-7-3-8-16-33)34-17-9-4-10-18-34)39(45)43-23-25-47-27-28-48-26-24-44-40(46)38-30-42(50-32(38)2,35-19-11-5-12-20-35)36-21-13-6-14-22-36/h3-22H,23-30H2,1-2H3,(H,43,45)(H,44,46).

What are the key properties of 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide?

5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 672.82 g/mol, XLogP of 6.53, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-[2-[2-[(5-methyl-2,2-diphenyl-3H-furan-4-carbonyl)amino]ethoxy]ethoxy]ethyl]-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 11549258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).