2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide

C20H22ClNO4 — CID 100779634

IUPAC2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1
InChIInChI=1S/C20H22ClNO4/c1-3-24-17-10-8-16(9-11-17)22-19(23)20(2)12-25-18(26-13-20)14-4-6-15(21)7-5-14/h4-11,18H,3,12-13H2,1-2H3,(H,22,23)
InChIKeySOLOFQZMSUUDDA-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.43
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide

2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide (PubChem CID 100779634) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
PubChem CID100779634
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1
InChIInChI=1S/C20H22ClNO4/c1-3-24-17-10-8-16(9-11-17)22-19(23)20(2)12-25-18(26-13-20)14-4-6-15(21)7-5-14/h4-11,18H,3,12-13H2,1-2H3,(H,22,23)
InChIKeySOLOFQZMSUUDDA-UHFFFAOYSA-N
XLogP4.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide
CID 100778858
N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
CID 100778993
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
ethyl 2-[4-[[2-(2-fluorophenyl)-5-methyl-1,3-dioxane-5-carbonyl]amino]phenoxy]acetate
CID 100779783
2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane
CID 70936321
2-(4-methoxyphenyl)-5-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
CID 100779297
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
1-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 2318019
5-methyl-2-[4-(thietan-3-yloxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1,3-dioxane-5-carboxamide
CID 100780047
N-(4-chlorophenyl)-2-[4-(4-ethoxyphenyl)cyclohexyl]acetamide
CID 121325219
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide (CID 100779634) is 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide is CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide?
The InChIKey is SOLOFQZMSUUDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-3-24-17-10-8-16(9-11-17)22-19(23)20(2)12-25-18(26-13-20)14-4-6-15(21)7-5-14/h4-11,18H,3,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide?
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide has a molecular weight of 375.85 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100779634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).