[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate

C21H28N2O7 — CID 9010849

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(C(=O)COC(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(OC)c1
InChIInChI=1S/C21H28N2O7/c1-13(2)8-9-21(3)19(26)23(20(27)22-21)11-18(25)30-12-16(24)15-7-6-14(28-4)10-17(15)29-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,22,27)/t21-/m1/s1
InChIKeyIHBVVMKXIRQHFX-OAQYLSRUSA-N
MW420.46 g/mol
LogP2.18
Rot. Bonds10

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 9010849) has the molecular formula C21H28N2O7 and a molecular weight of 420.46 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID9010849
Molecular FormulaC21H28N2O7
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(C(=O)COC(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(OC)c1
InChIInChI=1S/C21H28N2O7/c1-13(2)8-9-21(3)19(26)23(20(27)22-21)11-18(25)30-12-16(24)15-7-6-14(28-4)10-17(15)29-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,22,27)/t21-/m1/s1
InChIKeyIHBVVMKXIRQHFX-OAQYLSRUSA-N
XLogP2.18
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209767
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9010817
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469769
[2-(N-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9010927
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793351
N-(3-methoxyphenyl)-2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2510293
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 2535479
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011112
[2-(4-acetylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011116
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 16583784
N-[2-(4-methoxyphenyl)ethyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42898006
[2-(cyclopentylamino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011087

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 9010849) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate is COc1ccc(C(=O)COC(=O)CN2C(=O)N[C@](C)(CCC(C)C)C2=O)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is IHBVVMKXIRQHFX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O7/c1-13(2)8-9-21(3)19(26)23(20(27)22-21)11-18(25)30-12-16(24)15-7-6-14(28-4)10-17(15)29-5/h6-7,10,13H,8-9,11-12H2,1-5H3,(H,22,27)/t21-/m1/s1.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 420.46 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 9010849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).