7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide

C24H31N7O4 — CID 118374539

IUPAC7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
SMILESCC(=O)Nc1cccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)c1
InChIInChI=1S/C24H31N7O4/c1-17(32)26-19-8-6-7-18(15-19)22-27-23(30-11-13-35-14-12-30)21-24(28-22)31(16-25-21)10-5-3-2-4-9-20(33)29-34/h6-8,15-16,34H,2-5,9-14H2,1H3,(H,26,32)(H,29,33)
InChIKeyAREJUGAYBXWFOK-UHFFFAOYSA-N
MW481.56 g/mol
LogP2.74
Rot. Bonds10

About 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide

7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide (PubChem CID 118374539) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
PubChem CID118374539
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC Name7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
SMILESCC(=O)Nc1cccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)c1
InChIInChI=1S/C24H31N7O4/c1-17(32)26-19-8-6-7-18(15-19)22-27-23(30-11-13-35-14-12-30)21-24(28-22)31(16-25-21)10-5-3-2-4-9-20(33)29-34/h6-8,15-16,34H,2-5,9-14H2,1H3,(H,26,32)(H,29,33)
InChIKeyAREJUGAYBXWFOK-UHFFFAOYSA-N
XLogP2.74
TPSA134.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide?
The IUPAC name of 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide (CID 118374539) is 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide is CC(=O)Nc1cccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)c1.
What is the InChIKey of 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide?
The InChIKey is AREJUGAYBXWFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-17(32)26-19-8-6-7-18(15-19)22-27-23(30-11-13-35-14-12-30)21-24(28-22)31(16-25-21)10-5-3-2-4-9-20(33)29-34/h6-8,15-16,34H,2-5,9-14H2,1H3,(H,26,32)(H,29,33).
What are the key properties of 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide?
7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide has a molecular weight of 481.56 g/mol, XLogP of 2.74, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-acetamidophenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 118374539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).