2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide

C22H23N3O5 — CID 55511336

IUPAC2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CN2C(=O)C(=O)N(c3ccccc3OCC)C2=O)cc1
InChIInChI=1S/C22H23N3O5/c1-3-7-15-10-12-16(13-11-15)23-19(26)14-24-20(27)21(28)25(22(24)29)17-8-5-6-9-18(17)30-4-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,23,26)
InChIKeyZAIUXENAAJUIPW-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.97
Rot. Bonds8

About 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide

2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide (PubChem CID 55511336) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
PubChem CID55511336
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CN2C(=O)C(=O)N(c3ccccc3OCC)C2=O)cc1
InChIInChI=1S/C22H23N3O5/c1-3-7-15-10-12-16(13-11-15)23-19(26)14-24-20(27)21(28)25(22(24)29)17-8-5-6-9-18(17)30-4-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,23,26)
InChIKeyZAIUXENAAJUIPW-UHFFFAOYSA-N
XLogP2.97
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 55510917
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 55511083
2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
CID 26776950
N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807374
2-[(5E)-5-[(2-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethylphenyl)acetamide
CID 126185697
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 55511411
N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975817
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928850
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4222608
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877128
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-propylphenyl)acetamide
CID 24565803

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide (CID 55511336) is 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CN2C(=O)C(=O)N(c3ccccc3OCC)C2=O)cc1.
What is the InChIKey of 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide?
The InChIKey is ZAIUXENAAJUIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-7-15-10-12-16(13-11-15)23-19(26)14-24-20(27)21(28)25(22(24)29)17-8-5-6-9-18(17)30-4-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide?
2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 55511336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).