2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C₂₄H₃₁N₃O₄ — CID 54822272

About 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54822272) has the molecular formula C₂₄H₃₁N₃O₄ and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
• PubChem CID: 54822272
• Molecular Formula: C₂₄H₃₁N₃O₄
• Molecular Weight: 425.53 g/mol
• Exact Mass: 425.23
• IUPAC Name: 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
• SMILES: COCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1
• InChI: InChI=1S/C24H31N3O4/c1-18-10-12-27(13-11-18)24(29)19-4-3-5-21(16-19)26-23(28)17-25-20-6-8-22(9-7-20)31-15-14-30-2/h3-9,16,18,25H,10-15,17H2,1-2H3,(H,26,28)
• InChIKey: BAZFIAORAYQNAD-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.53
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?

The IUPAC name of 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 54822272) is 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

What is the SMILES notation for 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?

The canonical SMILES for 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is COCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1.

What is the InChIKey of 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?

The InChIKey is BAZFIAORAYQNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-18-10-12-27(13-11-18)24(29)19-4-3-5-21(16-19)26-23(28)17-25-20-6-8-22(9-7-20)31-15-14-30-2/h3-9,16,18,25H,10-15,17H2,1-2H3,(H,26,28).

What are the key properties of 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?

2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54822272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54822272 — identifiers, structure, computed properties (public domain)

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