2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide

C24H26BrN3O5 — CID 126250583

IUPAC2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Br)c1OCC
InChIInChI=1S/C24H26BrN3O5/c1-4-16-9-7-8-10-18(16)26-21(29)14-28-23(30)19(27-24(28)31)12-15-11-17(25)22(33-6-3)20(13-15)32-5-2/h7-13H,4-6,14H2,1-3H3,(H,26,29)(H,27,31)/b19-12+
InChIKeyCCEGJUXMGDJAOM-XDHOZWIPSA-N
MW516.39 g/mol
LogP4.34
Rot. Bonds9

About 2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide

2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 126250583) has the molecular formula C24H26BrN3O5 and a molecular weight of 516.39 g/mol. Its IUPAC name is 2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID126250583
Molecular FormulaC24H26BrN3O5
Molecular Weight516.39 g/mol
Exact Mass515.11
IUPAC Name2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Br)c1OCC
InChIInChI=1S/C24H26BrN3O5/c1-4-16-9-7-8-10-18(16)26-21(29)14-28-23(30)19(27-24(28)31)12-15-11-17(25)22(33-6-3)20(13-15)32-5-2/h7-13H,4-6,14H2,1-3H3,(H,26,29)(H,27,31)/b19-12+
InChIKeyCCEGJUXMGDJAOM-XDHOZWIPSA-N
XLogP4.34
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4E)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126227604
2-[2,6-dibromo-4-[(E)-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126240571
2-[(4E)-4-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126210144
ethyl 2-[2-bromo-6-ethoxy-4-[(E)-[1-[2-(2-methoxyanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate
CID 126235533
2-[(4E)-4-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126241893
2-[(4E)-4-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126252978
2-[(4E)-4-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126218052
2-[(4E)-4-[[3,5-dibromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126239637
2-[(4E)-4-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126218938
2-[(4E)-4-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126250511
2-[(4E)-4-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126255249
2-[(4E)-4-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126222865

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide (CID 126250583) is 2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide is CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc(Br)c1OCC.
What is the InChIKey of 2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is CCEGJUXMGDJAOM-XDHOZWIPSA-N. The full InChI is InChI=1S/C24H26BrN3O5/c1-4-16-9-7-8-10-18(16)26-21(29)14-28-23(30)19(27-24(28)31)12-15-11-17(25)22(33-6-3)20(13-15)32-5-2/h7-13H,4-6,14H2,1-3H3,(H,26,29)(H,27,31)/b19-12+.
What are the key properties of 2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 516.39 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 126250583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).