2-cyano-N-(6-hydroxyhexyl)butanamide

C₁₁H₂₀N₂O₂ — CID 107853067

About 2-cyano-N-(6-hydroxyhexyl)butanamide

2-cyano-N-(6-hydroxyhexyl)butanamide (PubChem CID 107853067) has the molecular formula C₁₁H₂₀N₂O₂ and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-cyano-N-(6-hydroxyhexyl)butanamide.

Molecular Properties

• Compound Name: 2-cyano-N-(6-hydroxyhexyl)butanamide
• PubChem CID: 107853067
• Molecular Formula: C₁₁H₂₀N₂O₂
• Molecular Weight: 212.29 g/mol
• Exact Mass: 212.15
• IUPAC Name: 2-cyano-N-(6-hydroxyhexyl)butanamide
• SMILES: CCC(C#N)C(=O)NCCCCCCO
• InChI: InChI=1S/C11H20N2O2/c1-2-10(9-12)11(15)13-7-5-3-4-6-8-14/h10,14H,2-8H2,1H3,(H,13,15)
• InChIKey: URGXUNIYYJSZRH-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 73.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	212.29
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(6-hydroxyhexyl)butanamide?

The IUPAC name of 2-cyano-N-(6-hydroxyhexyl)butanamide (CID 107853067) is 2-cyano-N-(6-hydroxyhexyl)butanamide.

What is the SMILES notation for 2-cyano-N-(6-hydroxyhexyl)butanamide?

The canonical SMILES for 2-cyano-N-(6-hydroxyhexyl)butanamide is CCC(C#N)C(=O)NCCCCCCO.

What is the InChIKey of 2-cyano-N-(6-hydroxyhexyl)butanamide?

The InChIKey is URGXUNIYYJSZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-10(9-12)11(15)13-7-5-3-4-6-8-14/h10,14H,2-8H2,1H3,(H,13,15).

What are the key properties of 2-cyano-N-(6-hydroxyhexyl)butanamide?

2-cyano-N-(6-hydroxyhexyl)butanamide has a molecular weight of 212.29 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-(6-hydroxyhexyl)butanamide is sourced from PubChem (CID 107853067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107853067 — identifiers, structure, computed properties (public domain)

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