2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide

C23H23N3O6 — CID 126254362

IUPAC2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3CC)C1=O)OCO2
InChIInChI=1S/C23H23N3O6/c1-3-14-7-5-6-8-16(14)24-21(27)12-26-22(28)17(25-23(26)29)9-15-10-19-20(32-13-31-19)11-18(15)30-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,24,27)(H,25,29)/b17-9+
InChIKeyGPONBRXHHNUHSR-RQZCQDPDSA-N
MW437.45 g/mol
LogP2.91
Rot. Bonds7

About 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide

2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 126254362) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID126254362
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3CC)C1=O)OCO2
InChIInChI=1S/C23H23N3O6/c1-3-14-7-5-6-8-16(14)24-21(27)12-26-22(28)17(25-23(26)29)9-15-10-19-20(32-13-31-19)11-18(15)30-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,24,27)(H,25,29)/b17-9+
InChIKeyGPONBRXHHNUHSR-RQZCQDPDSA-N
XLogP2.91
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4E)-4-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126252978
2-[(4E)-4-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126249635
2-[(4E)-4-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126237472
2-[(4E)-4-[(3-chloro-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126227604
2-[(4E)-4-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126250583
2-[(4E)-4-[[2-[(2-cyanophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126251575
4-[[2-[(E)-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126246547
2-[(4E)-4-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126250511
2-[(4E)-4-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126241416
2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126258315
2-[(4E)-4-[[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126246042
2-[(4E)-4-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126255402

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide (CID 126254362) is 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide is CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3CC)C1=O)OCO2.
What is the InChIKey of 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is GPONBRXHHNUHSR-RQZCQDPDSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-3-14-7-5-6-8-16(14)24-21(27)12-26-22(28)17(25-23(26)29)9-15-10-19-20(32-13-31-19)11-18(15)30-4-2/h5-11H,3-4,12-13H2,1-2H3,(H,24,27)(H,25,29)/b17-9+.
What are the key properties of 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 437.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 126254362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).