2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

C21H21N3O5 — CID 6045577

IUPAC2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1O
InChIInChI=1S/C21H21N3O5/c1-3-29-18-11-14(7-8-17(18)25)10-16-20(27)24(21(28)23-16)12-19(26)22-15-6-4-5-13(2)9-15/h4-11,25H,3,12H2,1-2H3,(H,22,26)(H,23,28)/b16-10+
InChIKeyKVQYKZAGHFWBBH-MHWRWJLKSA-N
MW395.42 g/mol
LogP2.63
Rot. Bonds6

About 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 6045577) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID6045577
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1O
InChIInChI=1S/C21H21N3O5/c1-3-29-18-11-14(7-8-17(18)25)10-16-20(27)24(21(28)23-16)12-19(26)22-15-6-4-5-13(2)9-15/h4-11,25H,3,12H2,1-2H3,(H,22,26)(H,23,28)/b16-10+
InChIKeyKVQYKZAGHFWBBH-MHWRWJLKSA-N
XLogP2.63
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
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

Bi-ligand, 3
CID 52940028
(5Z)-5-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 155531753
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 118051679
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 2462061
4-(4-((3-ethoxy-4-hydroxyphenyl)methylidene)-5-oxo-2-sulfanylideneimidazolidin-1-yl)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
CID 2389205
2-{2-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy}-N-phenylacetamide
CID 1003958
5-(3-Ethoxy-4-hydroxybenzylidene)-3-(2-fluorobenzyl)-2,4-imidazolidinedione
CID 1210425
(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5856637
(5E)-3-(2-fluorobenzyl)-5-(4-hydroxy-3,5-dimethoxybenzylidene)imidazolidine-2,4-dione
CID 5981014
2-[4-(3-ethoxy-2-hydroxybenzylidene)-2,5-dioxo-1-imidazolidinyl]-N-(3-methylphenyl)acetamide
CID 6261030
2-[4-({2,4-Dioxo-3-[2-oxo-2-(3-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]propanoic acid
CID 6520605
5-(3-Ethoxy-2-hydroxybenzylidene)-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one
CID 6530569

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 6045577) is 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1O.
What is the InChIKey of 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is KVQYKZAGHFWBBH-MHWRWJLKSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-3-29-18-11-14(7-8-17(18)25)10-16-20(27)24(21(28)23-16)12-19(26)22-15-6-4-5-13(2)9-15/h4-11,25H,3,12H2,1-2H3,(H,22,26)(H,23,28)/b16-10+.
What are the key properties of 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 6045577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).