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

C25H34N6O4 — CID 118366986

IUPACN-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide
SMILESCC(C)n1cnc2c(-c3cccc(OCCCCCCC(=O)NO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C25H34N6O4/c1-18(2)31-17-26-23-22(27-25(28-24(23)31)30-11-14-34-15-12-30)19-8-7-9-20(16-19)35-13-6-4-3-5-10-21(32)29-33/h7-9,16-18,33H,3-6,10-15H2,1-2H3,(H,29,32)
InChIKeyHGFCJSOGDPHXOF-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.75
Rot. Bonds11

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

N-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide (PubChem CID 118366986) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide
PubChem CID118366986
Molecular FormulaC25H34N6O4
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC NameN-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide
SMILESCC(C)n1cnc2c(-c3cccc(OCCCCCCC(=O)NO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C25H34N6O4/c1-18(2)31-17-26-23-22(27-25(28-24(23)31)30-11-14-34-15-12-30)19-8-7-9-20(16-19)35-13-6-4-3-5-10-21(32)29-33/h7-9,16-18,33H,3-6,10-15H2,1-2H3,(H,29,32)
InChIKeyHGFCJSOGDPHXOF-UHFFFAOYSA-N
XLogP3.75
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.75
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-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide?
The IUPAC name of N-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide (CID 118366986) is N-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide.
What is the SMILES notation for N-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide?
The canonical SMILES for N-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide is CC(C)n1cnc2c(-c3cccc(OCCCCCCC(=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)phenoxy]heptanamide?
The InChIKey is HGFCJSOGDPHXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-18(2)31-17-26-23-22(27-25(28-24(23)31)30-11-14-34-15-12-30)19-8-7-9-20(16-19)35-13-6-4-3-5-10-21(32)29-33/h7-9,16-18,33H,3-6,10-15H2,1-2H3,(H,29,32).
What are the key properties of N-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide?
N-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide has a molecular weight of 482.59 g/mol, XLogP of 3.75, 11 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)phenoxy]heptanamide is sourced from PubChem (CID 118366986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).