N-hexyl-2-(2-nitrophenyl)acetamide

C₁₄H₂₀N₂O₃ — CID 3386287

About N-hexyl-2-(2-nitrophenyl)acetamide

N-hexyl-2-(2-nitrophenyl)acetamide (PubChem CID 3386287) has the molecular formula C₁₄H₂₀N₂O₃ and a molecular weight of 264.32 g/mol. Its IUPAC name is N-hexyl-2-(2-nitrophenyl)acetamide.

Molecular Properties

• Compound Name: N-hexyl-2-(2-nitrophenyl)acetamide
• PubChem CID: 3386287
• Molecular Formula: C₁₄H₂₀N₂O₃
• Molecular Weight: 264.32 g/mol
• Exact Mass: 264.15
• IUPAC Name: N-hexyl-2-(2-nitrophenyl)acetamide
• SMILES: CCCCCCNC(=O)Cc1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C14H20N2O3/c1-2-3-4-7-10-15-14(17)11-12-8-5-6-9-13(12)16(18)19/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,15,17)
• InChIKey: GVKFWDXCQDTMTR-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 72.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.32
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(2-nitrophenyl)acetamide?

The IUPAC name of N-hexyl-2-(2-nitrophenyl)acetamide (CID 3386287) is N-hexyl-2-(2-nitrophenyl)acetamide.

What is the SMILES notation for N-hexyl-2-(2-nitrophenyl)acetamide?

The canonical SMILES for N-hexyl-2-(2-nitrophenyl)acetamide is CCCCCCNC(=O)Cc1ccccc1[N+](=O)[O-].

What is the InChIKey of N-hexyl-2-(2-nitrophenyl)acetamide?

The InChIKey is GVKFWDXCQDTMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-4-7-10-15-14(17)11-12-8-5-6-9-13(12)16(18)19/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,15,17).

What are the key properties of N-hexyl-2-(2-nitrophenyl)acetamide?

N-hexyl-2-(2-nitrophenyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-hexyl-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3386287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3386287 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.