2-methoxy-N-(3-pentyldecyl)acetamide

C₁₈H₃₇NO₂ — CID 167202084

About 2-methoxy-N-(3-pentyldecyl)acetamide

2-methoxy-N-(3-pentyldecyl)acetamide (PubChem CID 167202084) has the molecular formula C₁₈H₃₇NO₂ and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-methoxy-N-(3-pentyldecyl)acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-(3-pentyldecyl)acetamide
• PubChem CID: 167202084
• Molecular Formula: C₁₈H₃₇NO₂
• Molecular Weight: 299.50 g/mol
• Exact Mass: 299.28
• IUPAC Name: 2-methoxy-N-(3-pentyldecyl)acetamide
• SMILES: CCCCCCCC(CCCCC)CCNC(=O)COC
• InChI: InChI=1S/C18H37NO2/c1-4-6-8-9-11-13-17(12-10-7-5-2)14-15-19-18(20)16-21-3/h17H,4-16H2,1-3H3,(H,19,20)
• InChIKey: DHZOEGPUNKUZSC-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.50
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-pentyldecyl)acetamide?

The IUPAC name of 2-methoxy-N-(3-pentyldecyl)acetamide (CID 167202084) is 2-methoxy-N-(3-pentyldecyl)acetamide.

What is the SMILES notation for 2-methoxy-N-(3-pentyldecyl)acetamide?

The canonical SMILES for 2-methoxy-N-(3-pentyldecyl)acetamide is CCCCCCCC(CCCCC)CCNC(=O)COC.

What is the InChIKey of 2-methoxy-N-(3-pentyldecyl)acetamide?

The InChIKey is DHZOEGPUNKUZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-6-8-9-11-13-17(12-10-7-5-2)14-15-19-18(20)16-21-3/h17H,4-16H2,1-3H3,(H,19,20).

What are the key properties of 2-methoxy-N-(3-pentyldecyl)acetamide?

2-methoxy-N-(3-pentyldecyl)acetamide has a molecular weight of 299.50 g/mol, XLogP of 4.70, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-(3-pentyldecyl)acetamide is sourced from PubChem (CID 167202084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167202084 — identifiers, structure, computed properties (public domain)

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