2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one

C18H21NO3 — CID 159751274

IUPAC2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one
SMILESCCCC(=O)c1[nH]c(CC)cc(=O)c1OCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-8-15(20)17-18(16(21)11-14(4-2)19-17)22-12-13-9-6-5-7-10-13/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,19,21)
InChIKeyDYPQKHYROKISFL-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.50
Rot. Bonds7

About 2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one

2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one (PubChem CID 159751274) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one
PubChem CID159751274
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one
SMILESCCCC(=O)c1[nH]c(CC)cc(=O)c1OCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-8-15(20)17-18(16(21)11-14(4-2)19-17)22-12-13-9-6-5-7-10-13/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,19,21)
InChIKeyDYPQKHYROKISFL-UHFFFAOYSA-N
XLogP3.50
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxy-2-propanoyl-1H-pyridin-4-one
CID 159607116
2-(3-methylbutanoyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-1H-pyridin-4-one
CID 158067897
2-acetyl-3-phenylmethoxy-1H-pyridin-4-one
CID 145314511
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
(1,3-dioxo-5-phenylmethoxyinden-2-yl) butanoate
CID 139638191
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
ethyl 3-[(4-oxo-3-phenylmethoxy-1H-pyridine-2-carbonyl)amino]propanoate
CID 58067176
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate
CID 142664195
1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
CID 143156217

Frequently Asked Questions

What is the IUPAC name of 2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one?
The IUPAC name of 2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one (CID 159751274) is 2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one?
The canonical SMILES for 2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one is CCCC(=O)c1[nH]c(CC)cc(=O)c1OCc1ccccc1.
What is the InChIKey of 2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one?
The InChIKey is DYPQKHYROKISFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-8-15(20)17-18(16(21)11-14(4-2)19-17)22-12-13-9-6-5-7-10-13/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,19,21).
What are the key properties of 2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one?
2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one has a molecular weight of 299.37 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyl-6-ethyl-3-phenylmethoxy-1H-pyridin-4-one is sourced from PubChem (CID 159751274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).