ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate

C25H27NO6 — CID 84572358

IUPACethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate
SMILESCCOC(=O)c1ccc(COc2c(C)n(CCOc3ccc(OC)cc3)ccc2=O)cc1
InChIInChI=1S/C25H27NO6/c1-4-30-25(28)20-7-5-19(6-8-20)17-32-24-18(2)26(14-13-23(24)27)15-16-31-22-11-9-21(29-3)10-12-22/h5-14H,4,15-17H2,1-3H3
InChIKeyMXFUJVHODBSBJS-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.00
Rot. Bonds10

About ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate

ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate (PubChem CID 84572358) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate
PubChem CID84572358
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Nameethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate
SMILESCCOC(=O)c1ccc(COc2c(C)n(CCOc3ccc(OC)cc3)ccc2=O)cc1
InChIInChI=1S/C25H27NO6/c1-4-30-25(28)20-7-5-19(6-8-20)17-32-24-18(2)26(14-13-23(24)27)15-16-31-22-11-9-21(29-3)10-12-22/h5-14H,4,15-17H2,1-3H3
InChIKeyMXFUJVHODBSBJS-UHFFFAOYSA-N
XLogP4.00
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate with MolForge

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[4-(4-methylphenoxy)butoxy]pyridin-4-one
CID 84572401
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
N-[4-[2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetyl]phenyl]acetamide
CID 84572452
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 3,5-diiodo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 10602479
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
[4-[(4-methoxyphenyl)methoxycarbonyl]phenyl] 4-decoxybenzoate
CID 102503307
ethyl 3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)benzoate
CID 10338739

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate?
The IUPAC name of ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate (CID 84572358) is ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate.
What is the SMILES notation for ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate?
The canonical SMILES for ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate is CCOC(=O)c1ccc(COc2c(C)n(CCOc3ccc(OC)cc3)ccc2=O)cc1.
What is the InChIKey of ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate?
The InChIKey is MXFUJVHODBSBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-4-30-25(28)20-7-5-19(6-8-20)17-32-24-18(2)26(14-13-23(24)27)15-16-31-22-11-9-21(29-3)10-12-22/h5-14H,4,15-17H2,1-3H3.
What are the key properties of ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate?
ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate has a molecular weight of 437.49 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxymethyl]benzoate is sourced from PubChem (CID 84572358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).