2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

C22H22N4O6 — CID 3930443

IUPAC2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(C=C2NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCC(N)=O
InChIInChI=1S/C22H22N4O6/c1-13-4-3-5-15(8-13)24-20(28)11-26-21(29)16(25-22(26)30)9-14-6-7-17(18(10-14)31-2)32-12-19(23)27/h3-10H,11-12H2,1-2H3,(H2,23,27)(H,24,28)(H,25,30)
InChIKeyYKYNTEVLWUBRTH-UHFFFAOYSA-N
MW438.44 g/mol
LogP1.40
Rot. Bonds8

About 2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 3930443) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID3930443
Molecular FormulaC22H22N4O6
Molecular Weight438.44 g/mol
Exact Mass438.15
IUPAC Name2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(C=C2NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCC(N)=O
InChIInChI=1S/C22H22N4O6/c1-13-4-3-5-15(8-13)24-20(28)11-26-21(29)16(25-22(26)30)9-14-6-7-17(18(10-14)31-2)32-12-19(23)27/h3-10H,11-12H2,1-2H3,(H2,23,27)(H,24,28)(H,25,30)
InChIKeyYKYNTEVLWUBRTH-UHFFFAOYSA-N
XLogP1.40
TPSA140.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 51.40
H-Bond Donors ≤ 53
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-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)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-[[4-(2-anilino-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126107609
2-[(4Z)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 92959528
2-[5-bromo-2-methoxy-4-[(E)-[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126113956
2-[(4Z)-4-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 6036572
2-[(4E)-4-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126099854
2-[(4E)-4-[[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126240337
2-[(4E)-4-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126111570
2-[(4E)-4-[(5-chloro-2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126123565
2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126112477
2-[(4E)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126107921
(2R)-2-[4-[(Z)-[1-(2-anilino-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 126016097
2-[(4Z)-2,5-dioxo-4-[(4-phenylphenyl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 16632657

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 3930443) is 2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is COc1cc(C=C2NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is YKYNTEVLWUBRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-13-4-3-5-15(8-13)24-20(28)11-26-21(29)16(25-22(26)30)9-14-6-7-17(18(10-14)31-2)32-12-19(23)27/h3-10H,11-12H2,1-2H3,(H2,23,27)(H,24,28)(H,25,30).
What are the key properties of 2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 438.44 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3930443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).