1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one

C26H31NO5 — CID 84572401

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one
SMILESCOc1ccc(OCCn2ccc(=O)c(OCCCCOc3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C26H31NO5/c1-20-6-8-23(9-7-20)30-17-4-5-18-32-26-21(2)27(15-14-25(26)28)16-19-31-24-12-10-22(29-3)11-13-24/h6-15H,4-5,16-19H2,1-3H3
InChIKeyLIXSBUDFZQLKKT-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.79
Rot. Bonds12

About 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one (PubChem CID 84572401) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one
PubChem CID84572401
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one
SMILESCOc1ccc(OCCn2ccc(=O)c(OCCCCOc3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C26H31NO5/c1-20-6-8-23(9-7-20)30-17-4-5-18-32-26-21(2)27(15-14-25(26)28)16-19-31-24-12-10-22(29-3)11-13-24/h6-15H,4-5,16-19H2,1-3H3
InChIKeyLIXSBUDFZQLKKT-UHFFFAOYSA-N
XLogP4.79
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenoxypropoxy)pyridin-4-one
CID 84572393
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3-phenylpropoxy)pyridin-4-one
CID 84572379
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-prop-2-ynoxypyridin-4-one
CID 84572566
butan-2-yl 2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetate
CID 84572238
N-(2,6-dimethylphenyl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572032
ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate
CID 84572358
N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide
CID 84572452
N-benzyl-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]-N-methylacetamide
CID 84572212
1-(4-methoxyphenyl)-3-[5-[[1-(4-methoxyphenyl)-2-methyl-4-oxo-3-pyridinyl]oxy]pentoxy]-2-methylpyridin-4-one
CID 16723691
N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572442
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione
CID 60734792

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one (CID 84572401) is 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one is COc1ccc(OCCn2ccc(=O)c(OCCCCOc3ccc(C)cc3)c2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one?
The InChIKey is LIXSBUDFZQLKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-20-6-8-23(9-7-20)30-17-4-5-18-32-26-21(2)27(15-14-25(26)28)16-19-31-24-12-10-22(29-3)11-13-24/h6-15H,4-5,16-19H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one?
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one has a molecular weight of 437.54 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one is sourced from PubChem (CID 84572401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).