N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide

C20H25NO3 — CID 14127185

IUPACN-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide
SMILESCCCc1oc(C)cc(=O)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C20H25NO3/c1-5-9-17-18(16(22)12-13(4)24-17)20(23)21-19-14(6-2)10-8-11-15(19)7-3/h8,10-12H,5-7,9H2,1-4H3,(H,21,23)
InChIKeyAYRGUOWCHRFGBP-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.28
Rot. Bonds6

About N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide

N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide (PubChem CID 14127185) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide
PubChem CID14127185
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide
SMILESCCCc1oc(C)cc(=O)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C20H25NO3/c1-5-9-17-18(16(22)12-13(4)24-17)20(23)21-19-14(6-2)10-8-11-15(19)7-3/h8,10-12H,5-7,9H2,1-4H3,(H,21,23)
InChIKeyAYRGUOWCHRFGBP-UHFFFAOYSA-N
XLogP4.28
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide
CID 139794944
N-(2,6-diethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide
CID 23040365
N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 23037899
N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide
CID 139794938
2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide
CID 139794959
N-(2-ethyl-6-methylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 14156125
N-(2,6-diethyl-4-methoxyphenyl)-5,6-dimethyl-4-oxo-2-propylpyran-3-carboxamide
CID 14300032
N-(2,6-diethylphenyl)-6-methyl-1-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 14277824
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
CID 21289349
N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide
CID 14128683
5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 23040318

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide (CID 14127185) is N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide is CCCc1oc(C)cc(=O)c1C(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide?
The InChIKey is AYRGUOWCHRFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-9-17-18(16(22)12-13(4)24-17)20(23)21-19-14(6-2)10-8-11-15(19)7-3/h8,10-12H,5-7,9H2,1-4H3,(H,21,23).
What are the key properties of N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide?
N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide has a molecular weight of 327.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide is sourced from PubChem (CID 14127185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).