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

C14H17NO5 — CID 100778858

IUPACN-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C)COC(=O)OC2)cc1
InChIInChI=1S/C14H17NO5/c1-3-18-11-6-4-10(5-7-11)15-12(16)14(2)8-19-13(17)20-9-14/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyJGRPOKCGGDVOOB-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.20
Rot. Bonds4

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

N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide (PubChem CID 100778858) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide
PubChem CID100778858
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC NameN-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C)COC(=O)OC2)cc1
InChIInChI=1S/C14H17NO5/c1-3-18-11-6-4-10(5-7-11)15-12(16)14(2)8-19-13(17)20-9-14/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyJGRPOKCGGDVOOB-UHFFFAOYSA-N
XLogP2.20
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-(4-ethoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779634
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
ethyl 2-[4-[[2-(2-fluorophenyl)-5-methyl-1,3-dioxane-5-carbonyl]amino]phenoxy]acetate
CID 100779783
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356
(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide
CID 6595849
(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 900167
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 120537255
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide (CID 100778858) is N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide is CCOc1ccc(NC(=O)C2(C)COC(=O)OC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide?
The InChIKey is JGRPOKCGGDVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-3-18-11-6-4-10(5-7-11)15-12(16)14(2)8-19-13(17)20-9-14/h4-7H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide?
N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-methyl-2-oxo-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100778858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).