3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one

C18H23NO2 — CID 44624148

IUPAC3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc[nH]c2=O)cc(C(C)(C)C)c1OC
InChIInChI=1S/C18H23NO2/c1-6-12-10-13(14-8-7-9-19-17(14)20)11-15(16(12)21-5)18(2,3)4/h7-11H,6H2,1-5H3,(H,19,20)
InChIKeyLXHSFKYBGGIJFH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.91
Rot. Bonds3

About 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one

3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one (PubChem CID 44624148) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one
PubChem CID44624148
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one
SMILESCCc1cc(-c2ccc[nH]c2=O)cc(C(C)(C)C)c1OC
InChIInChI=1S/C18H23NO2/c1-6-12-10-13(14-8-7-9-19-17(14)20)11-15(16(12)21-5)18(2,3)4/h7-11H,6H2,1-5H3,(H,19,20)
InChIKeyLXHSFKYBGGIJFH-UHFFFAOYSA-N
XLogP3.91
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one (CID 44624148) is 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one is CCc1cc(-c2ccc[nH]c2=O)cc(C(C)(C)C)c1OC.
What is the InChIKey of 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one?
The InChIKey is LXHSFKYBGGIJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-6-12-10-13(14-8-7-9-19-17(14)20)11-15(16(12)21-5)18(2,3)4/h7-11H,6H2,1-5H3,(H,19,20).
What are the key properties of 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one?
3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-5-ethyl-4-methoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 44624148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).