N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide

C32H41N3O5 — CID 4098227

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 4098227) has the molecular formula C32H41N3O5 and a molecular weight of 547.70 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
• PubChem CID: 4098227
• Molecular Formula: C32H41N3O5
• Molecular Weight: 547.70 g/mol
• Exact Mass: 547.30
• IUPAC Name: N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
• SMILES: CCCCOc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1
• InChI: InChI=1S/C32H41N3O5/c1-2-3-20-39-29-14-12-28(13-15-29)32(37)34(17-8-16-33-18-22-38-23-19-33)26-31(36)35(25-30-11-7-21-40-30)24-27-9-5-4-6-10-27/h4-7,9-15,21H,2-3,8,16-20,22-26H2,1H3
• InChIKey: MNAQMGVTRCYIIP-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 75.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.70
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide?

The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 4098227) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide.

What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide?

The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide is CCCCOc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1.

What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide?

The InChIKey is MNAQMGVTRCYIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O5/c1-2-3-20-39-29-14-12-28(13-15-29)32(37)34(17-8-16-33-18-22-38-23-19-33)26-31(36)35(25-30-11-7-21-40-30)24-27-9-5-4-6-10-27/h4-7,9-15,21H,2-3,8,16-20,22-26H2,1H3.

What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide?

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 547.70 g/mol, XLogP of 4.85, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 4098227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).