3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide

C24H46N4O5 — CID 169018887

About 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide

3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide (PubChem CID 169018887) has the molecular formula C24H46N4O5 and a molecular weight of 470.66 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
• PubChem CID: 169018887
• Molecular Formula: C24H46N4O5
• Molecular Weight: 470.66 g/mol
• Exact Mass: 470.35
• IUPAC Name: 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
• SMILES: CC(C)CCCCc1cn(CCOCCOCCOCCOCCNC(=O)CC(C)C)nn1
• InChI: InChI=1S/C24H46N4O5/c1-21(2)7-5-6-8-23-20-28(27-26-23)10-12-31-14-16-33-18-17-32-15-13-30-11-9-25-24(29)19-22(3)4/h20-22H,5-19H2,1-4H3,(H,25,29)
• InChIKey: UBZUKJUPIBRWNP-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 96.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.66
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?

The IUPAC name of 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide (CID 169018887) is 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide.

What is the SMILES notation for 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?

The canonical SMILES for 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide is CC(C)CCCCc1cn(CCOCCOCCOCCOCCNC(=O)CC(C)C)nn1.

What is the InChIKey of 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?

The InChIKey is UBZUKJUPIBRWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O5/c1-21(2)7-5-6-8-23-20-28(27-26-23)10-12-31-14-16-33-18-17-32-15-13-30-11-9-25-24(29)19-22(3)4/h20-22H,5-19H2,1-4H3,(H,25,29).

What are the key properties of 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide?

3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 470.66 g/mol, XLogP of 2.88, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-[2-[2-[2-[2-[4-(5-methylhexyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 169018887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).