3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one

C19H21NO3 — CID 93213290

IUPAC3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one
SMILESCC(=O)c1ccc(C)n(CC(=O)c2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C19H21NO3/c1-12(2)15-6-8-16(9-7-15)18(22)11-20-13(3)5-10-17(14(4)21)19(20)23/h5-10,12H,11H2,1-4H3
InChIKeyBKDXOBKTAMQYFE-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.37
Rot. Bonds5

About 3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one

3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one (PubChem CID 93213290) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one
PubChem CID93213290
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one
SMILESCC(=O)c1ccc(C)n(CC(=O)c2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C19H21NO3/c1-12(2)15-6-8-16(9-7-15)18(22)11-20-13(3)5-10-17(14(4)21)19(20)23/h5-10,12H,11H2,1-4H3
InChIKeyBKDXOBKTAMQYFE-UHFFFAOYSA-N
XLogP3.37
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 17472720
3-acetyl-1-(2-aminobutyl)-6-methylpyridin-2-one
CID 82144130
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 82064697
5-iodo-6-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
CID 66339795
1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103499002
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanylacetic acid
CID 146004506
4,5-dichloro-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridazin-3-one
CID 8862790
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-3-propylimidazol-2-one
CID 80579320
5,5-dimethyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 60623130

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one?
The IUPAC name of 3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one (CID 93213290) is 3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one?
The canonical SMILES for 3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one is CC(=O)c1ccc(C)n(CC(=O)c2ccc(C(C)C)cc2)c1=O.
What is the InChIKey of 3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one?
The InChIKey is BKDXOBKTAMQYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12(2)15-6-8-16(9-7-15)18(22)11-20-13(3)5-10-17(14(4)21)19(20)23/h5-10,12H,11H2,1-4H3.
What are the key properties of 3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one?
3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 93213290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).