[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

C22H22N2O5 — CID 55309960

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C22H22N2O5/c1-3-22(17-7-5-4-6-8-17)20(27)24(21(28)23-22)13-19(26)29-14-18(25)16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,23,28)
InChIKeyWWPLIFQSSFLBIA-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.58
Rot. Bonds7

About [2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate

[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (PubChem CID 55309960) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
PubChem CID55309960
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C22H22N2O5/c1-3-22(17-7-5-4-6-8-17)20(27)24(21(28)23-22)13-19(26)29-14-18(25)16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,23,28)
InChIKeyWWPLIFQSSFLBIA-UHFFFAOYSA-N
XLogP2.58
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.58
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

[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 41170271
2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8894074
3-[2-(4-aminophenyl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 68734886
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
4-methoxybutyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 95571136
(2,4-dimethylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55332610
(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16550582
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709342
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
[4-(trifluoromethyl)phenyl]methyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55445207

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate (CID 55309960) is [2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is CCC1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)c2ccc(C)cc2)C1=O.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
The InChIKey is WWPLIFQSSFLBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-3-22(17-7-5-4-6-8-17)20(27)24(21(28)23-22)13-19(26)29-14-18(25)16-11-9-15(2)10-12-16/h4-12H,3,13-14H2,1-2H3,(H,23,28).
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate?
[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate has a molecular weight of 394.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate is sourced from PubChem (CID 55309960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).