2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid

C24H28N2O6 — CID 170066843

IUPAC2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
SMILESCCOc1ccc(N2CC(=O)N(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)C2=O)cc1
InChIInChI=1S/C24H28N2O6/c1-6-31-19-9-7-18(8-10-19)25-14-20(27)26(23(25)30)13-17-11-15(2)21(16(3)12-17)32-24(4,5)22(28)29/h7-12H,6,13-14H2,1-5H3,(H,28,29)
InChIKeyORXDLNYYKXZTLY-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.91
Rot. Bonds8

About 2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid

2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid (PubChem CID 170066843) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
PubChem CID170066843
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
SMILESCCOc1ccc(N2CC(=O)N(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)C2=O)cc1
InChIInChI=1S/C24H28N2O6/c1-6-31-19-9-7-18(8-10-19)25-14-20(27)26(23(25)30)13-17-11-15(2)21(16(3)12-17)32-24(4,5)22(28)29/h7-12H,6,13-14H2,1-5H3,(H,28,29)
InChIKeyORXDLNYYKXZTLY-UHFFFAOYSA-N
XLogP3.91
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2,6-dimethyl-4-[[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 170066320
ethyl 2-[4-[[2,5-dioxo-3-(4-phenylphenyl)imidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 170066443
3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174303131
ethyl 2-[4-[[3-(3-chloro-4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 170067836
ethyl 2-[2,6-dimethyl-4-[[3-(4-methylthiophen-2-yl)-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
CID 171773782
3-[[3,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-[3-fluoro-4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174302476
3-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 174302698
2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid
CID 145439775
2-[4-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanal
CID 170067262
2-[5-[[2,5-dioxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]cyclohepta-1,4,6-trien-1-yl]oxy-2-methylpropanoic acid
CID 170067357
2-[2,6-dimethyl-4-[[4-(4-methylsulfanylphenyl)-5-oxo-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methylpropanoic acid
CID 171612686
2-[2-chloro-4-[[2,5-dioxo-3-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]imidazolidin-1-yl]methyl]-6-fluorophenoxy]-2-methylpropanoic acid
CID 174301704

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid (CID 170066843) is 2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid is CCOc1ccc(N2CC(=O)N(Cc3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)C2=O)cc1.
What is the InChIKey of 2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid?
The InChIKey is ORXDLNYYKXZTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-6-31-19-9-7-18(8-10-19)25-14-20(27)26(23(25)30)13-17-11-15(2)21(16(3)12-17)32-24(4,5)22(28)29/h7-12H,6,13-14H2,1-5H3,(H,28,29).
What are the key properties of 2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid?
2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid has a molecular weight of 440.50 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 170066843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).