N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide

C24H32N6O4 — CID 118366949

IUPACN-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide
SMILESCC(C)n1cnc2c(-c3cccc(COCCCCC(=O)NO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H32N6O4/c1-17(2)30-16-25-22-21(26-24(27-23(22)30)29-9-12-33-13-10-29)19-7-5-6-18(14-19)15-34-11-4-3-8-20(31)28-32/h5-7,14,16-17,32H,3-4,8-13,15H2,1-2H3,(H,28,31)
InChIKeySOYLEDMZIHRFDM-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.10
Rot. Bonds10

About N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide

N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide (PubChem CID 118366949) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide
PubChem CID118366949
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC NameN-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide
SMILESCC(C)n1cnc2c(-c3cccc(COCCCCC(=O)NO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C24H32N6O4/c1-17(2)30-16-25-22-21(26-24(27-23(22)30)29-9-12-33-13-10-29)19-7-5-6-18(14-19)15-34-11-4-3-8-20(31)28-32/h5-7,14,16-17,32H,3-4,8-13,15H2,1-2H3,(H,28,31)
InChIKeySOYLEDMZIHRFDM-UHFFFAOYSA-N
XLogP3.10
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.10
H-Bond Donors ≤ 52
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 N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide?
The IUPAC name of N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide (CID 118366949) is N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide.
What is the SMILES notation for N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide?
The canonical SMILES for N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide is CC(C)n1cnc2c(-c3cccc(COCCCCC(=O)NO)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide?
The InChIKey is SOYLEDMZIHRFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-17(2)30-16-25-22-21(26-24(27-23(22)30)29-9-12-33-13-10-29)19-7-5-6-18(14-19)15-34-11-4-3-8-20(31)28-32/h5-7,14,16-17,32H,3-4,8-13,15H2,1-2H3,(H,28,31).
What are the key properties of N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide?
N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide has a molecular weight of 468.56 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide is sourced from PubChem (CID 118366949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).