2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride

C26H51ClN2O11 — CID 138542496

About 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride

2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride (PubChem CID 138542496) has the molecular formula C26H51ClN2O11 and a molecular weight of 603.15 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride
• PubChem CID: 138542496
• Molecular Formula: C26H51ClN2O11
• Molecular Weight: 603.15 g/mol
• Exact Mass: 602.32
• IUPAC Name: 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride
• SMILES: C#CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCOCC[NH3+].[Cl-]
• InChI: InChI=1S/C26H50N2O11.ClH/c1-2-6-30-10-14-34-18-22-38-23-19-35-15-11-31-7-3-26(29)28-5-9-33-13-17-37-21-25-39-24-20-36-16-12-32-8-4-27;/h1H,3-25,27H2,(H,28,29);1H
• InChIKey: WOZPUXZECMELSB-UHFFFAOYSA-N
• XLogP: -4.46
• TPSA: 149.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 33
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.15
LogP ≤ 5	-4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride?

The IUPAC name of 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride (CID 138542496) is 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride is C#CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCOCC[NH3+].[Cl-].

What is the InChIKey of 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride?

The InChIKey is WOZPUXZECMELSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O11.ClH/c1-2-6-30-10-14-34-18-22-38-23-19-35-15-11-31-7-3-26(29)28-5-9-33-13-17-37-21-25-39-24-20-36-16-12-32-8-4-27;/h1H,3-25,27H2,(H,28,29);1H.

What are the key properties of 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride?

2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride has a molecular weight of 603.15 g/mol, XLogP of -4.46, 33 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium chloride is sourced from PubChem (CID 138542496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).