5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane

C20H27NO4 — CID 177321773

IUPAC5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane
SMILESCC.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1C(C)=O
InChIInChI=1S/C18H21NO4.C2H6/c1-10-11(2)18(21)19(4)9-14(10)13-7-15(22-5)17(12(3)20)16(8-13)23-6;1-2/h7-9H,1-6H3;1-2H3
InChIKeyORIZGLVXTNURAW-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.92
Rot. Bonds4

About 5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane

5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane (PubChem CID 177321773) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane.

Molecular Properties

Compound Name5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane
PubChem CID177321773
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane
SMILESCC.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1C(C)=O
InChIInChI=1S/C18H21NO4.C2H6/c1-10-11(2)18(21)19(4)9-14(10)13-7-15(22-5)17(12(3)20)16(8-13)23-6;1-2/h7-9H,1-6H3;1-2H3
InChIKeyORIZGLVXTNURAW-UHFFFAOYSA-N
XLogP3.92
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one
CID 177322220
tert-butyl 4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperazine-1-carboxylate
CID 164720289
4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-dimethylpiperazin-2-one
CID 177251976
CID 171086589
CID 171086589
4-(3,5-dimethoxy-4-methylphenyl)-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 177321527
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
5-[4-[[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-1,3,4-trimethylpyridin-2-one
CID 175868074
1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
1-(2,4-dimethoxy-6-sulfanylphenyl)ethanone
CID 86747405
tert-butyl 5-[4-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperazin-1-yl]sulfonyl-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 177252114
(4-acetyl-3-acetyloxy-5-methoxy-2-methylphenyl) acetate
CID 166890344

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane?
The IUPAC name of 5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane (CID 177321773) is 5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane.
What is the SMILES notation for 5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane?
The canonical SMILES for 5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane is CC.COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1C(C)=O.
What is the InChIKey of 5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane?
The InChIKey is ORIZGLVXTNURAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4.C2H6/c1-10-11(2)18(21)19(4)9-14(10)13-7-15(22-5)17(12(3)20)16(8-13)23-6;1-2/h7-9H,1-6H3;1-2H3.
What are the key properties of 5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane?
5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane has a molecular weight of 345.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetyl-3,5-dimethoxyphenyl)-1,3,4-trimethylpyridin-2-one;ethane is sourced from PubChem (CID 177321773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).