N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide

C₂₆H₃₆N₆O₄ — CID 118374519

About N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide

N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide (PubChem CID 118374519) has the molecular formula C₂₆H₃₆N₆O₄ and a molecular weight of 496.61 g/mol. Its IUPAC name is N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide.

Molecular Properties

• Compound Name: N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide
• PubChem CID: 118374519
• Molecular Formula: C₂₆H₃₆N₆O₄
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.28
• IUPAC Name: N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide
• SMILES: CC(C)n1cnc2c(-c3cccc(COCCCCCCC(=O)NO)c3)nc(N3CCOCC3)nc21
• InChI: InChI=1S/C26H36N6O4/c1-19(2)32-18-27-24-23(28-26(29-25(24)32)31-11-14-35-15-12-31)21-9-7-8-20(16-21)17-36-13-6-4-3-5-10-22(33)30-34/h7-9,16,18-19,34H,3-6,10-15,17H2,1-2H3,(H,30,33)
• InChIKey: LVPZINMOXHKEES-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 114.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide?

The IUPAC name of N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide (CID 118374519) is N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide.

What is the SMILES notation for N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide?

The canonical SMILES for N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide is CC(C)n1cnc2c(-c3cccc(COCCCCCCC(=O)NO)c3)nc(N3CCOCC3)nc21.

What is the InChIKey of N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide?

The InChIKey is LVPZINMOXHKEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O4/c1-19(2)32-18-27-24-23(28-26(29-25(24)32)31-11-14-35-15-12-31)21-9-7-8-20(16-21)17-36-13-6-4-3-5-10-22(33)30-34/h7-9,16,18-19,34H,3-6,10-15,17H2,1-2H3,(H,30,33).

What are the key properties of N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide?

N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide has a molecular weight of 496.61 g/mol, XLogP of 3.88, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptanamide is sourced from PubChem (CID 118374519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118374519 — identifiers, structure, computed properties (public domain)

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