N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide

C₁₇H₂₂N₂O₃ — CID 2777

About N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide

N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 2777) has the molecular formula C₁₇H₂₂N₂O₃ and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide
• PubChem CID: 2777
• Molecular Formula: C₁₇H₂₂N₂O₃
• Molecular Weight: 302.37 g/mol
• Exact Mass: 302.16
• IUPAC Name: N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide
• SMILES: O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1
• InChI: InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)
• InChIKey: KUJQEQAVMNFFAO-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.37
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide (CID 2777) is N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide is O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1.

What is the InChIKey of N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide?

The InChIKey is KUJQEQAVMNFFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20).

What are the key properties of N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide?

N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2777 — identifiers, structure, computed properties (public domain)

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