3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one

C17H19NO4 — CID 82064779

IUPAC3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one
SMILESCOc1ccc(OCCn2c(C)ccc(C(C)=O)c2=O)cc1
InChIInChI=1S/C17H19NO4/c1-12-4-9-16(13(2)19)17(20)18(12)10-11-22-15-7-5-14(21-3)6-8-15/h4-9H,10-11H2,1-3H3
InChIKeyBLANDWUIPQXZIH-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.45
Rot. Bonds6

About 3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one

3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one (PubChem CID 82064779) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one
PubChem CID82064779
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one
SMILESCOc1ccc(OCCn2c(C)ccc(C(C)=O)c2=O)cc1
InChIInChI=1S/C17H19NO4/c1-12-4-9-16(13(2)19)17(20)18(12)10-11-22-15-7-5-14(21-3)6-8-15/h4-9H,10-11H2,1-3H3
InChIKeyBLANDWUIPQXZIH-UHFFFAOYSA-N
XLogP2.45
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099479
3-acetyl-6-methyl-1-nonylpyridin-2-one
CID 82064801
1-[2-(4-methoxyphenoxy)ethyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124655
2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 82064697
1-[2-(4-methoxyphenoxy)ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 78805030
3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one
CID 82144130
1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole
CID 82082756
1-[2-(4-bromophenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072852
4-[(3-acetyl-6-methyl-2-oxo-1-pyridinyl)methyl]benzonitrile
CID 82064795
3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]phenyl]-2-methylpropanoic acid
CID 23591487
3-acetyl-1-[(4-aminophenyl)methyl]-6-methylpyridin-2-one
CID 82151492
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one (CID 82064779) is 3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one is COc1ccc(OCCn2c(C)ccc(C(C)=O)c2=O)cc1.
What is the InChIKey of 3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one?
The InChIKey is BLANDWUIPQXZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12-4-9-16(13(2)19)17(20)18(12)10-11-22-15-7-5-14(21-3)6-8-15/h4-9H,10-11H2,1-3H3.
What are the key properties of 3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one?
3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one has a molecular weight of 301.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 82064779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).