N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide

C24H26N4O6 — CID 55511083

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)C1=O
InChIInChI=1S/C24H26N4O6/c1-5-34-18-12-7-6-11-17(18)28-23(32)22(31)27(24(28)33)14-20(30)26(4)13-19(29)25-21-15(2)9-8-10-16(21)3/h6-12H,5,13-14H2,1-4H3,(H,25,29)
InChIKeyLDSNKLAOBOGOEV-UHFFFAOYSA-N
MW466.49 g/mol
LogP2.09
Rot. Bonds8

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 55511083) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID55511083
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)C1=O
InChIInChI=1S/C24H26N4O6/c1-5-34-18-12-7-6-11-17(18)28-23(32)22(31)27(24(28)33)14-20(30)26(4)13-19(29)25-21-15(2)9-8-10-16(21)3/h6-12H,5,13-14H2,1-4H3,(H,25,29)
InChIKeyLDSNKLAOBOGOEV-UHFFFAOYSA-N
XLogP2.09
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626879
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888782
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 55511411
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2,4,5-trioxo-3-(1-phenylethyl)imidazolidin-1-yl]acetamide
CID 55547439
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 31930851
2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 55511336
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 55510917
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8576314
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55628358
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8691402

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide (CID 55511083) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide is CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)C1=O.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is LDSNKLAOBOGOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6/c1-5-34-18-12-7-6-11-17(18)28-23(32)22(31)27(24(28)33)14-20(30)26(4)13-19(29)25-21-15(2)9-8-10-16(21)3/h6-12H,5,13-14H2,1-4H3,(H,25,29).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 466.49 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 55511083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).