N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide

C26H49NO9 — CID 167615688

About N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide

N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide (PubChem CID 167615688) has the molecular formula C26H49NO9 and a molecular weight of 519.68 g/mol. Its IUPAC name is N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide
• PubChem CID: 167615688
• Molecular Formula: C26H49NO9
• Molecular Weight: 519.68 g/mol
• Exact Mass: 519.34
• IUPAC Name: N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide
• SMILES: CC(C)CCCOCCOCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C
• InChI: InChI=1S/C26H49NO9/c1-22(2)7-5-10-31-14-18-36-21-26(30)27-9-12-33-15-16-34-19-24(28)8-6-11-32-13-17-35-20-25(29)23(3)4/h22-23H,5-21H2,1-4H3,(H,27,30)
• InChIKey: GDVIOIVWSGNFJT-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 118.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.68
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide?

The IUPAC name of N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide (CID 167615688) is N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide.

What is the SMILES notation for N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide?

The canonical SMILES for N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide is CC(C)CCCOCCOCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C.

What is the InChIKey of N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide?

The InChIKey is GDVIOIVWSGNFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49NO9/c1-22(2)7-5-10-31-14-18-36-21-26(30)27-9-12-33-15-16-34-19-24(28)8-6-11-32-13-17-35-20-25(29)23(3)4/h22-23H,5-21H2,1-4H3,(H,27,30).

What are the key properties of N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide?

N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide has a molecular weight of 519.68 g/mol, XLogP of 2.21, 27 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide is sourced from PubChem (CID 167615688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).