2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

C24H26N4O4 — CID 126103145

IUPAC2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c(C)c3)C2=O)c1
InChIInChI=1S/C24H26N4O4/c1-16-4-3-5-19(12-16)25-22(29)15-28-23(30)20(26-24(28)31)14-18-6-7-21(17(2)13-18)27-8-10-32-11-9-27/h3-7,12-14H,8-11,15H2,1-2H3,(H,25,29)(H,26,31)/b20-14+
InChIKeyKOVQOKRQEYPQDW-XSFVSMFZSA-N
MW434.50 g/mol
LogP2.67
Rot. Bonds5

About 2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide

2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 126103145) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID126103145
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c(C)c3)C2=O)c1
InChIInChI=1S/C24H26N4O4/c1-16-4-3-5-19(12-16)25-22(29)15-28-23(30)20(26-24(28)31)14-18-6-7-21(17(2)13-18)27-8-10-32-11-9-27/h3-7,12-14H,8-11,15H2,1-2H3,(H,25,29)(H,26,31)/b20-14+
InChIKeyKOVQOKRQEYPQDW-XSFVSMFZSA-N
XLogP2.67
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-4-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126154508
N-(3-methylphenyl)-2-[(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7943296
N-(3-methylphenyl)-2-[4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3372624
2-[(4Z)-4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 6045074
2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126112477
2-[(4Z)-2,5-dioxo-4-[(4-phenylphenyl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 16632657
2-[(4E)-2,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126108576
2-[4-[[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 5012476
2-[(4E)-4-[[5-(azepan-1-yl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126107842
2-[(4E)-2,5-dioxo-4-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 50868327
N-(3-methylphenyl)-2-[(4E)-4-[[1-(2-methylphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126110470
N-(4-chlorophenyl)-2-[(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6382274

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 126103145) is 2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c(C)c3)C2=O)c1.
What is the InChIKey of 2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is KOVQOKRQEYPQDW-XSFVSMFZSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-4-3-5-19(12-16)25-22(29)15-28-23(30)20(26-24(28)31)14-18-6-7-21(17(2)13-18)27-8-10-32-11-9-27/h3-7,12-14H,8-11,15H2,1-2H3,(H,25,29)(H,26,31)/b20-14+.
What are the key properties of 2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 434.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(3-methyl-4-morpholin-4-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126103145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).