5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide

C20H24BrNO4 — CID 19836506

IUPAC5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide
SMILESCCOCc1oc(C)c(Br)c(=O)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C20H24BrNO4/c1-5-13-9-8-10-14(6-2)18(13)22-20(24)16-15(11-25-7-3)26-12(4)17(21)19(16)23/h8-10H,5-7,11H2,1-4H3,(H,22,24)
InChIKeyJYSSQZDMAWZWEK-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.62
Rot. Bonds7

About 5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide

5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide (PubChem CID 19836506) has the molecular formula C20H24BrNO4 and a molecular weight of 422.32 g/mol. Its IUPAC name is 5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide
PubChem CID19836506
Molecular FormulaC20H24BrNO4
Molecular Weight422.32 g/mol
Exact Mass421.09
IUPAC Name5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide
SMILESCCOCc1oc(C)c(Br)c(=O)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C20H24BrNO4/c1-5-13-9-8-10-14(6-2)18(13)22-20(24)16-15(11-25-7-3)26-12(4)17(21)19(16)23/h8-10H,5-7,11H2,1-4H3,(H,22,24)
InChIKeyJYSSQZDMAWZWEK-UHFFFAOYSA-N
XLogP4.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 23040318
5-bromo-N-(2-ethyl-6-methylphenyl)-1-(2-ethylsulfanylethyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289454
N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide
CID 14128683
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 23037899
N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide
CID 139794944
2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide
CID 139794959
N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide
CID 14127185
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
CID 21289349
N-(2,6-diethyl-4-methoxyphenyl)-5,6-dimethyl-4-oxo-2-propylpyran-3-carboxamide
CID 14300032
2-amino-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285
3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide
CID 2788457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide (CID 19836506) is 5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide is CCOCc1oc(C)c(Br)c(=O)c1C(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of 5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide?
The InChIKey is JYSSQZDMAWZWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-5-13-9-8-10-14(6-2)18(13)22-20(24)16-15(11-25-7-3)26-12(4)17(21)19(16)23/h8-10H,5-7,11H2,1-4H3,(H,22,24).
What are the key properties of 5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide?
5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide has a molecular weight of 422.32 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide is sourced from PubChem (CID 19836506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).