N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide

C18H21NO6 — CID 100779347

IUPACN-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)c(OC)c1
InChIInChI=1S/C18H21NO6/c1-18(10-24-16(25-11-18)14-5-4-8-23-14)17(20)19-13-7-6-12(21-2)9-15(13)22-3/h4-9,16H,10-11H2,1-3H3,(H,19,20)
InChIKeyJMTALXLQQDOHQW-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.99
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide

N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide (PubChem CID 100779347) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide
PubChem CID100779347
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)c(OC)c1
InChIInChI=1S/C18H21NO6/c1-18(10-24-16(25-11-18)14-5-4-8-23-14)17(20)19-13-7-6-12(21-2)9-15(13)22-3/h4-9,16H,10-11H2,1-3H3,(H,19,20)
InChIKeyJMTALXLQQDOHQW-UHFFFAOYSA-N
XLogP2.99
TPSA79.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779916
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
N-(4-methoxy-2-methylphenyl)-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3-dioxane-5-carboxamide
CID 100779470
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
CID 100778993
N-(2,4-dimethoxyphenyl)-7-(furan-2-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135476896
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
N-(2,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2921877
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
(15R)-N-(2,4-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1298429
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
2-N-(4-acetamidophenyl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143673

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide (CID 100779347) is N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide is COc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide?
The InChIKey is JMTALXLQQDOHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-18(10-24-16(25-11-18)14-5-4-8-23-14)17(20)19-13-7-6-12(21-2)9-15(13)22-3/h4-9,16H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100779347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).