4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one

C20H21NO3 — CID 16728057

IUPAC4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(-c2ccco2)c1Oc1cc(C)cc(C)c1
InChIInChI=1S/C20H21NO3/c1-5-16-14(4)21-20(22)18(17-7-6-8-23-17)19(16)24-15-10-12(2)9-13(3)11-15/h6-11H,5H2,1-4H3,(H,21,22)
InChIKeyMMRZAZBOOKDQNE-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.91
Rot. Bonds4

About 4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one

4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one (PubChem CID 16728057) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one
PubChem CID16728057
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(-c2ccco2)c1Oc1cc(C)cc(C)c1
InChIInChI=1S/C20H21NO3/c1-5-16-14(4)21-20(22)18(17-7-6-8-23-17)19(16)24-15-10-12(2)9-13(3)11-15/h6-11H,5H2,1-4H3,(H,21,22)
InChIKeyMMRZAZBOOKDQNE-UHFFFAOYSA-N
XLogP4.91
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one (CID 16728057) is 4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(-c2ccco2)c1Oc1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one?
The InChIKey is MMRZAZBOOKDQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-5-16-14(4)21-20(22)18(17-7-6-8-23-17)19(16)24-15-10-12(2)9-13(3)11-15/h6-11H,5H2,1-4H3,(H,21,22).
What are the key properties of 4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one?
4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one has a molecular weight of 323.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-5-ethyl-3-(furan-2-yl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 16728057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).