5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one

C18H23NO3 — CID 58966928

IUPAC5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one
SMILESCOc1ccc(OCc2ccc(=O)n(CCC(C)C)c2)cc1
InChIInChI=1S/C18H23NO3/c1-14(2)10-11-19-12-15(4-9-18(19)20)13-22-17-7-5-16(21-3)6-8-17/h4-9,12,14H,10-11,13H2,1-3H3
InChIKeyHUCDXAHCFGLAHZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.48
Rot. Bonds7

About 5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one

5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one (PubChem CID 58966928) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one
PubChem CID58966928
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one
SMILESCOc1ccc(OCc2ccc(=O)n(CCC(C)C)c2)cc1
InChIInChI=1S/C18H23NO3/c1-14(2)10-11-19-12-15(4-9-18(19)20)13-22-17-7-5-16(21-3)6-8-17/h4-9,12,14H,10-11,13H2,1-3H3
InChIKeyHUCDXAHCFGLAHZ-UHFFFAOYSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 69441985
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
1-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-one
CID 38895977
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075008
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
4-[(4-methoxyphenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53324076
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(4-methoxyphenyl)pyridin-2-one
CID 69349835
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687
1-(2-methoxyethyl)-6-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47062505
3-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)purine-2,6-dione
CID 46047235

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one (CID 58966928) is 5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one is COc1ccc(OCc2ccc(=O)n(CCC(C)C)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one?
The InChIKey is HUCDXAHCFGLAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-14(2)10-11-19-12-15(4-9-18(19)20)13-22-17-7-5-16(21-3)6-8-17/h4-9,12,14H,10-11,13H2,1-3H3.
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one?
5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-1-(3-methylbutyl)pyridin-2-one is sourced from PubChem (CID 58966928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).