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

C21H25NO6 — CID 100779916

IUPACN-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)c(OC)c1
InChIInChI=1S/C21H25NO6/c1-21(20(23)22-16-10-9-14(24-2)11-18(16)26-4)12-27-19(28-13-21)15-7-5-6-8-17(15)25-3/h5-11,19H,12-13H2,1-4H3,(H,22,23)
InChIKeyGITFUEULTUBMIR-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.40
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide (PubChem CID 100779916) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
PubChem CID100779916
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)c(OC)c1
InChIInChI=1S/C21H25NO6/c1-21(20(23)22-16-10-9-14(24-2)11-18(16)26-4)12-27-19(28-13-21)15-7-5-6-8-17(15)25-3/h5-11,19H,12-13H2,1-4H3,(H,22,23)
InChIKeyGITFUEULTUBMIR-UHFFFAOYSA-N
XLogP3.40
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779347
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
CID 100778993
(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-(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
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide
CID 100784930
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976242
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide (CID 100779916) is N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide is COc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide?
The InChIKey is GITFUEULTUBMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-21(20(23)22-16-10-9-14(24-2)11-18(16)26-4)12-27-19(28-13-21)15-7-5-6-8-17(15)25-3/h5-11,19H,12-13H2,1-4H3,(H,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 3.40, 6 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-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100779916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).