N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide

C26H50N2O10 — CID 174152105

About N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide

N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide (PubChem CID 174152105) has the molecular formula C26H50N2O10 and a molecular weight of 550.69 g/mol. Its IUPAC name is N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide
• PubChem CID: 174152105
• Molecular Formula: C26H50N2O10
• Molecular Weight: 550.69 g/mol
• Exact Mass: 550.35
• IUPAC Name: N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide
• SMILES: CCOCCOCCOCCOCCC(=O)N(CCOCCCC(C)=O)CCOCCOCCNC(C)=O
• InChI: InChI=1S/C26H50N2O10/c1-4-32-16-17-37-22-23-38-21-18-34-12-7-26(31)28(9-14-33-11-5-6-24(2)29)10-15-36-20-19-35-13-8-27-25(3)30/h4-23H2,1-3H3,(H,27,30)
• InChIKey: UJWGDXNLNZQXKR-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 131.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 29
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.69
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide?

The IUPAC name of N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide (CID 174152105) is N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide.

What is the SMILES notation for N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide?

The canonical SMILES for N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide is CCOCCOCCOCCOCCC(=O)N(CCOCCCC(C)=O)CCOCCOCCNC(C)=O.

What is the InChIKey of N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide?

The InChIKey is UJWGDXNLNZQXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O10/c1-4-32-16-17-37-22-23-38-21-18-34-12-7-26(31)28(9-14-33-11-5-6-24(2)29)10-15-36-20-19-35-13-8-27-25(3)30/h4-23H2,1-3H3,(H,27,30).

What are the key properties of N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide?

N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide has a molecular weight of 550.69 g/mol, XLogP of 0.85, 29 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-N-[2-(4-oxopentoxy)ethyl]propanamide is sourced from PubChem (CID 174152105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).