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

C24H32N6O5 — CID 118366954

IUPACN-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide
SMILESO=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(OCCO)c3)nc21)NO
InChIInChI=1S/C24H32N6O5/c31-12-15-35-19-7-5-6-18(16-19)22-26-23(29-10-13-34-14-11-29)21-24(27-22)30(17-25-21)9-4-2-1-3-8-20(32)28-33/h5-7,16-17,31,33H,1-4,8-15H2,(H,28,32)
InChIKeyXLNAEGUPIHAXQI-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.16
Rot. Bonds12

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

N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide (PubChem CID 118366954) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide
PubChem CID118366954
Molecular FormulaC24H32N6O5
Molecular Weight484.56 g/mol
Exact Mass484.24
IUPAC NameN-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide
SMILESO=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(OCCO)c3)nc21)NO
InChIInChI=1S/C24H32N6O5/c31-12-15-35-19-7-5-6-18(16-19)22-26-23(29-10-13-34-14-11-29)21-24(27-22)30(17-25-21)9-4-2-1-3-8-20(32)28-33/h5-7,16-17,31,33H,1-4,8-15H2,(H,28,32)
InChIKeyXLNAEGUPIHAXQI-UHFFFAOYSA-N
XLogP2.16
TPSA134.86 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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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Related Compounds

7-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
CID 118366972
N-hydroxy-7-[2-[3-(hydroxymethyl)-4-methoxyphenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide
CID 118366988
N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]-3-methoxy-benzamide
CID 467916
N-hydroxy-6-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]hexanamide
CID 118366964
Hdac-IN-43
CID 118366967
N-hydroxy-7-(2-(3-(hydroxymethyl)phenyl)-6-morpholino-9H-purin-9-yl)heptanamide
CID 118366969
N-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptanamide
CID 118366993
N-hydroxy-7-[2-[4-(hydroxymethyl)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide
CID 118374522
7-[2-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]-N-hydroxyheptanamide
CID 118374527
6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-hydroxyhexanamide
CID 118374537
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(3-methoxyphenyl)methylamino]purin-9-yl]oxolane-2-carboxamide
CID 10048208
US10703755, Example 50
CID 138700940

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide (CID 118366954) is N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide is O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(OCCO)c3)nc21)NO.
What is the InChIKey of N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide?
The InChIKey is XLNAEGUPIHAXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5/c31-12-15-35-19-7-5-6-18(16-19)22-26-23(29-10-13-34-14-11-29)21-24(27-22)30(17-25-21)9-4-2-1-3-8-20(32)28-33/h5-7,16-17,31,33H,1-4,8-15H2,(H,28,32).
What are the key properties of N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide?
N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide has a molecular weight of 484.56 g/mol, XLogP of 2.16, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide is sourced from PubChem (CID 118366954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).