N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide

C₁₁H₂₂N₂O₃ — CID 155094769

About N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide

N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide (PubChem CID 155094769) has the molecular formula C₁₁H₂₂N₂O₃ and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide
• PubChem CID: 155094769
• Molecular Formula: C₁₁H₂₂N₂O₃
• Molecular Weight: 230.31 g/mol
• Exact Mass: 230.16
• IUPAC Name: N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide
• SMILES: CCOCCC(C)C(=O)NCCNC(C)=O
• InChI: InChI=1S/C11H22N2O3/c1-4-16-8-5-9(2)11(15)13-7-6-12-10(3)14/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)
• InChIKey: IPNDUPJSFSRECY-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.31
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	2
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 N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide?

The IUPAC name of N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide (CID 155094769) is N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide.

What is the SMILES notation for N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide?

The canonical SMILES for N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide is CCOCCC(C)C(=O)NCCNC(C)=O.

What is the InChIKey of N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide?

The InChIKey is IPNDUPJSFSRECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-16-8-5-9(2)11(15)13-7-6-12-10(3)14/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15).

What are the key properties of N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide?

N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide has a molecular weight of 230.31 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-4-ethoxy-2-methylbutanamide is sourced from PubChem (CID 155094769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155094769 — identifiers, structure, computed properties (public domain)

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