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

C20H24N6O4 — CID 118366960

IUPACN-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide
SMILESCC(C)n1cnc2c(-c3cccc(OCC(=O)NO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C20H24N6O4/c1-13(2)26-12-21-18-17(14-4-3-5-15(10-14)30-11-16(27)24-28)22-20(23-19(18)26)25-6-8-29-9-7-25/h3-5,10,12-13,28H,6-9,11H2,1-2H3,(H,24,27)
InChIKeyMXLKWYWLDRJBTP-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.79
Rot. Bonds6

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

N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide (PubChem CID 118366960) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide
PubChem CID118366960
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC NameN-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide
SMILESCC(C)n1cnc2c(-c3cccc(OCC(=O)NO)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C20H24N6O4/c1-13(2)26-12-21-18-17(14-4-3-5-15(10-14)30-11-16(27)24-28)22-20(23-19(18)26)25-6-8-29-9-7-25/h3-5,10,12-13,28H,6-9,11H2,1-2H3,(H,24,27)
InChIKeyMXLKWYWLDRJBTP-UHFFFAOYSA-N
XLogP1.79
TPSA114.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine
CID 5289228
N-hydroxy-7-[2-[3-(2-hydroxyethoxy)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide
CID 118366954
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-hydroxy-2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 122648343
2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 122648344
2-(3-(allyloxy)phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-8-amine
CID 10141451
(R){1-[9-Isopropyl-6-(3-methoxy-benzylamino)-9H-purin-2-yl]-pyrrolidin-2-yl}-methanol
CID 10786933
trans-3-(8-Amino-1-(3-(benzyloxy)phenyl)imidazo[1,5-a]pyrazin-3-yl)cyclobutanecarboxamide
CID 11269934
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(morpholinomethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11504226
cis-1-(3-(Benzyloxy)phenyl)-3-(3-(morpholinomethyl)cyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44438937
cis-1-(3-(Benzyloxy)phenyl)-3-(3-((isopropylamino)methyl)cyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44438938

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide?
The IUPAC name of N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide (CID 118366960) is N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide is CC(C)n1cnc2c(-c3cccc(OCC(=O)NO)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide?
The InChIKey is MXLKWYWLDRJBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-13(2)26-12-21-18-17(14-4-3-5-15(10-14)30-11-16(27)24-28)22-20(23-19(18)26)25-6-8-29-9-7-25/h3-5,10,12-13,28H,6-9,11H2,1-2H3,(H,24,27).
What are the key properties of N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide?
N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide has a molecular weight of 412.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide is sourced from PubChem (CID 118366960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).