4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide

C24H26N2O8 — CID 155392900

About 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide

4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide (PubChem CID 155392900) has the molecular formula C24H26N2O8 and a molecular weight of 470.48 g/mol. Its IUPAC name is 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
• PubChem CID: 155392900
• Molecular Formula: C24H26N2O8
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.17
• IUPAC Name: 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
• SMILES: C[C@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(COCCOCCO)o2)cc1)C(=O)NO
• InChI: InChI=1S/C24H26N2O8/c1-17(28)22(24(30)26-31)25-23(29)19-8-6-18(7-9-19)4-2-3-5-20-10-11-21(34-20)16-33-15-14-32-13-12-27/h6-11,17,22,27-28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22-/m0/s1
• InChIKey: FWPIWJSKOYTOJP-JTSKRJEESA-N
• XLogP: 0.19
• TPSA: 150.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	0.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?

The IUPAC name of 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide (CID 155392900) is 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide is C[C@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(COCCOCCO)o2)cc1)C(=O)NO.

What is the InChIKey of 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?

The InChIKey is FWPIWJSKOYTOJP-JTSKRJEESA-N. The full InChI is InChI=1S/C24H26N2O8/c1-17(28)22(24(30)26-31)25-23(29)19-8-6-18(7-9-19)4-2-3-5-20-10-11-21(34-20)16-33-15-14-32-13-12-27/h6-11,17,22,27-28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22-/m0/s1.

What are the key properties of 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?

4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide has a molecular weight of 470.48 g/mol, XLogP of 0.19, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-[2-(2-hydroxyethoxy)ethoxymethyl]furan-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 155392900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).