N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide

C21H42N2O10 — CID 58238700

About N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide

N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide (PubChem CID 58238700) has the molecular formula C21H42N2O10 and a molecular weight of 482.57 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide
• PubChem CID: 58238700
• Molecular Formula: C21H42N2O10
• Molecular Weight: 482.57 g/mol
• Exact Mass: 482.28
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide
• SMILES: CC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN
• InChI: InChI=1S/C21H42N2O10/c1-20(24)18-33-19-21(25)23-3-5-27-7-9-29-11-13-31-15-17-32-16-14-30-12-10-28-8-6-26-4-2-22/h2-19,22H2,1H3,(H,23,25)
• InChIKey: KXFGCUJGANTPMG-UHFFFAOYSA-N
• XLogP: -1.22
• TPSA: 146.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.57
LogP ≤ 5	-1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide (CID 58238700) is N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide is CC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide?

The InChIKey is KXFGCUJGANTPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O10/c1-20(24)18-33-19-21(25)23-3-5-27-7-9-29-11-13-31-15-17-32-16-14-30-12-10-28-8-6-26-4-2-22/h2-19,22H2,1H3,(H,23,25).

What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide?

N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide has a molecular weight of 482.57 g/mol, XLogP of -1.22, 27 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-(2-oxopropoxy)acetamide is sourced from PubChem (CID 58238700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).