N-(2-methylbutyl)dodecanamide

C₁₇H₃₅NO — CID 122184887

About N-(2-methylbutyl)dodecanamide

N-(2-methylbutyl)dodecanamide (PubChem CID 122184887) has the molecular formula C₁₇H₃₅NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-(2-methylbutyl)dodecanamide.

Molecular Properties

• Compound Name: N-(2-methylbutyl)dodecanamide
• PubChem CID: 122184887
• Molecular Formula: C₁₇H₃₅NO
• Molecular Weight: 269.47 g/mol
• Exact Mass: 269.27
• IUPAC Name: N-(2-methylbutyl)dodecanamide
• SMILES: CCCCCCCCCCCC(=O)NCC(C)CC
• InChI: InChI=1S/C17H35NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h16H,4-15H2,1-3H3,(H,18,19)
• InChIKey: AKCDAPIBMHWMTN-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 13
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	269.47
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)dodecanamide?

The IUPAC name of N-(2-methylbutyl)dodecanamide (CID 122184887) is N-(2-methylbutyl)dodecanamide.

What is the SMILES notation for N-(2-methylbutyl)dodecanamide?

The canonical SMILES for N-(2-methylbutyl)dodecanamide is CCCCCCCCCCCC(=O)NCC(C)CC.

What is the InChIKey of N-(2-methylbutyl)dodecanamide?

The InChIKey is AKCDAPIBMHWMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h16H,4-15H2,1-3H3,(H,18,19).

What are the key properties of N-(2-methylbutyl)dodecanamide?

N-(2-methylbutyl)dodecanamide has a molecular weight of 269.47 g/mol, XLogP of 5.07, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylbutyl)dodecanamide is sourced from PubChem (CID 122184887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122184887 — identifiers, structure, computed properties (public domain)

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