N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide

C₂₀H₂₅ClN₂O — CID 109022888

About N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide

N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide (PubChem CID 109022888) has the molecular formula C₂₀H₂₅ClN₂O and a molecular weight of 344.89 g/mol. Its IUPAC name is N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide.

Molecular Properties

• Compound Name: N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
• PubChem CID: 109022888
• Molecular Formula: C₂₀H₂₅ClN₂O
• Molecular Weight: 344.89 g/mol
• Exact Mass: 344.17
• IUPAC Name: N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
• SMILES: CCN(Cc1ccccc1)C(=O)CCNCCc1ccc(Cl)cc1
• InChI: InChI=1S/C20H25ClN2O/c1-2-23(16-18-6-4-3-5-7-18)20(24)13-15-22-14-12-17-8-10-19(21)11-9-17/h3-11,22H,2,12-16H2,1H3
• InChIKey: ZTUNOEPHTFNZKL-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.89
LogP ≤ 5	3.91
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 N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide?

The IUPAC name of N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide (CID 109022888) is N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide.

What is the SMILES notation for N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide?

The canonical SMILES for N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCNCCc1ccc(Cl)cc1.

What is the InChIKey of N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide?

The InChIKey is ZTUNOEPHTFNZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-2-23(16-18-6-4-3-5-7-18)20(24)13-15-22-14-12-17-8-10-19(21)11-9-17/h3-11,22H,2,12-16H2,1H3.

What are the key properties of N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide?

N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide has a molecular weight of 344.89 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide is sourced from PubChem (CID 109022888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109022888 — identifiers, structure, computed properties (public domain)

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