N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C25H29N3O4 — CID 126249487

IUPACN-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O
InChIInChI=1S/C25H29N3O4/c1-6-17-9-7-8-10-20(17)26-23(29)14-28-24(30)21(27-25(28)31)13-18-12-19(15(2)3)22(32-5)11-16(18)4/h7-13,15H,6,14H2,1-5H3,(H,26,29)(H,27,31)/b21-13+
InChIKeyZZYYLEDNEFOBIO-FYJGNVAPSA-N
MW435.52 g/mol
LogP4.22
Rot. Bonds7

About N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126249487) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID126249487
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O
InChIInChI=1S/C25H29N3O4/c1-6-17-9-7-8-10-20(17)26-23(29)14-28-24(30)21(27-25(28)31)13-18-12-19(15(2)3)22(32-5)11-16(18)4/h7-13,15H,6,14H2,1-5H3,(H,26,29)(H,27,31)/b21-13+
InChIKeyZZYYLEDNEFOBIO-FYJGNVAPSA-N
XLogP4.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126249635
N-(2-methoxyphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17354273
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4654642
2-[(4E)-4-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126257337
2-[(4E)-4-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126252978
methyl 2-[4-[(E)-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 126238328
2-[(4E)-4-[(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50866260
N-(2-ethylphenyl)-2-[(4E)-4-[[1-(2-methoxy-5-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126251409
2-[(4E)-4-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126254362
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)-2,5-dioxo-4-[(2,4,6-trimethylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126238859

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126249487) is N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZZYYLEDNEFOBIO-FYJGNVAPSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-6-17-9-7-8-10-20(17)26-23(29)14-28-24(30)21(27-25(28)31)13-18-12-19(15(2)3)22(32-5)11-16(18)4/h7-13,15H,6,14H2,1-5H3,(H,26,29)(H,27,31)/b21-13+.
What are the key properties of N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(4E)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126249487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).