ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate

C19H23NO4 — CID 16728062

IUPACethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Oc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O
InChIInChI=1S/C19H23NO4/c1-6-15-13(5)20-18(21)16(19(22)23-7-2)17(15)24-14-9-11(3)8-12(4)10-14/h8-10H,6-7H2,1-5H3,(H,20,21)
InChIKeyQBESYWRSIUTAKX-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.83
Rot. Bonds5

About ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate

ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 16728062) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID16728062
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(Oc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O
InChIInChI=1S/C19H23NO4/c1-6-15-13(5)20-18(21)16(19(22)23-7-2)17(15)24-14-9-11(3)8-12(4)10-14/h8-10H,6-7H2,1-5H3,(H,20,21)
InChIKeyQBESYWRSIUTAKX-UHFFFAOYSA-N
XLogP3.83
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 16728062) is ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(Oc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O.
What is the InChIKey of ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is QBESYWRSIUTAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-6-15-13(5)20-18(21)16(19(22)23-7-2)17(15)24-14-9-11(3)8-12(4)10-14/h8-10H,6-7H2,1-5H3,(H,20,21).
What are the key properties of ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 16728062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).