4-BUTANAMIDO-N-HEXYLBENZAMIDE

C₁₇H₂₆N₂O₂ — CID 3934901

About 4-BUTANAMIDO-N-HEXYLBENZAMIDE

4-BUTANAMIDO-N-HEXYLBENZAMIDE (PubChem CID 3934901) has the molecular formula C₁₇H₂₆N₂O₂ and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(butanoylamino)-N-hexylbenzamide.

Molecular Properties

• Compound Name: 4-BUTANAMIDO-N-HEXYLBENZAMIDE
• PubChem CID: 3934901
• Molecular Formula: C₁₇H₂₆N₂O₂
• Molecular Weight: 290.41 g/mol
• Exact Mass: 290.20
• IUPAC Name: 4-(butanoylamino)-N-hexylbenzamide
• SMILES: CCCCCCNC(=O)c1ccc(NC(=O)CCC)cc1
• InChI: InChI=1S/C17H26N2O2/c1-3-5-6-7-13-18-17(21)14-9-11-15(12-10-14)19-16(20)8-4-2/h9-12H,3-8,13H2,1-2H3,(H,18,21)(H,19,20)
• InChIKey: UZCYAVYQMFHTKE-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.41
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
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 4-BUTANAMIDO-N-HEXYLBENZAMIDE?

The IUPAC name of 4-BUTANAMIDO-N-HEXYLBENZAMIDE (CID 3934901) is 4-(butanoylamino)-N-hexylbenzamide.

What is the SMILES notation for 4-BUTANAMIDO-N-HEXYLBENZAMIDE?

The canonical SMILES for 4-BUTANAMIDO-N-HEXYLBENZAMIDE is CCCCCCNC(=O)c1ccc(NC(=O)CCC)cc1.

What is the InChIKey of 4-BUTANAMIDO-N-HEXYLBENZAMIDE?

The InChIKey is UZCYAVYQMFHTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-5-6-7-13-18-17(21)14-9-11-15(12-10-14)19-16(20)8-4-2/h9-12H,3-8,13H2,1-2H3,(H,18,21)(H,19,20).

What are the key properties of 4-BUTANAMIDO-N-HEXYLBENZAMIDE?

4-BUTANAMIDO-N-HEXYLBENZAMIDE has a molecular weight of 290.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-BUTANAMIDO-N-HEXYLBENZAMIDE is sourced from PubChem (CID 3934901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3934901 — identifiers, structure, computed properties (public domain)

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