4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide

C12H25NO6 — CID 178004606

About 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide

4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide (PubChem CID 178004606) has the molecular formula C12H25NO6 and a molecular weight of 279.33 g/mol. Its IUPAC name is 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide.

Molecular Properties

• Compound Name: 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
• PubChem CID: 178004606
• Molecular Formula: C12H25NO6
• Molecular Weight: 279.33 g/mol
• Exact Mass: 279.17
• IUPAC Name: 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
• SMILES: NC(=O)CCCOCCOCCOCCOCCO
• InChI: InChI=1S/C12H25NO6/c13-12(15)2-1-4-16-6-8-18-10-11-19-9-7-17-5-3-14/h14H,1-11H2,(H2,13,15)
• InChIKey: YFSMYBQHNJJJBY-UHFFFAOYSA-N
• XLogP: -0.69
• TPSA: 100.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.33
LogP ≤ 5	-0.69
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 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide?

The IUPAC name of 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide (CID 178004606) is 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide.

What is the SMILES notation for 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide?

The canonical SMILES for 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide is NC(=O)CCCOCCOCCOCCOCCO.

What is the InChIKey of 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide?

The InChIKey is YFSMYBQHNJJJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO6/c13-12(15)2-1-4-16-6-8-18-10-11-19-9-7-17-5-3-14/h14H,1-11H2,(H2,13,15).

What are the key properties of 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide?

4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide has a molecular weight of 279.33 g/mol, XLogP of -0.69, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butanamide is sourced from PubChem (CID 178004606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).