Sodium;octanamide;propanoate

C₁₁H₂₂NNaO₃ — CID 158225803

About Sodium;octanamide;propanoate

Sodium;octanamide;propanoate (PubChem CID 158225803) has the molecular formula C₁₁H₂₂NNaO₃ and a molecular weight of 239.29 g/mol. Its IUPAC name is sodium;octanamide;propanoate.

Molecular Properties

• Compound Name: Sodium;octanamide;propanoate
• PubChem CID: 158225803
• Molecular Formula: C₁₁H₂₂NNaO₃
• Molecular Weight: 239.29 g/mol
• Exact Mass: 239.15
• IUPAC Name: sodium;octanamide;propanoate
• SMILES: CCC(=O)[O-].CCCCCCCC(N)=O.[Na+]
• InChI: InChI=1S/C8H17NO.C3H6O2.Na/c1-2-3-4-5-6-7-8(9)10;1-2-3(4)5;/h2-7H2,1H3,(H2,9,10);2H2,1H3,(H,4,5);/q;;+1/p-1
• InChIKey: HJRMDFBSPTWKAW-UHFFFAOYSA-M
• XLogP: -2.02
• TPSA: 83.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.29
LogP ≤ 5	-2.02
H-Bond Donors ≤ 5	1
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 Sodium;octanamide;propanoate?

The IUPAC name of Sodium;octanamide;propanoate (CID 158225803) is sodium;octanamide;propanoate.

What is the SMILES notation for Sodium;octanamide;propanoate?

The canonical SMILES for Sodium;octanamide;propanoate is CCC(=O)[O-].CCCCCCCC(N)=O.[Na+].

What is the InChIKey of Sodium;octanamide;propanoate?

The InChIKey is HJRMDFBSPTWKAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO.C3H6O2.Na/c1-2-3-4-5-6-7-8(9)10;1-2-3(4)5;/h2-7H2,1H3,(H2,9,10);2H2,1H3,(H,4,5);/q;;+1/p-1.

What are the key properties of Sodium;octanamide;propanoate?

Sodium;octanamide;propanoate has a molecular weight of 239.29 g/mol, XLogP of -2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;octanamide;propanoate is sourced from PubChem (CID 158225803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158225803 — identifiers, structure, computed properties (public domain)

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