2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide

C23H26N4O4 — CID 50854766

IUPAC2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccn(C4CCCCC4)c3)C2=O)cc1
InChIInChI=1S/C23H26N4O4/c1-31-19-9-7-17(8-10-19)24-21(28)15-27-22(29)20(25-23(27)30)13-16-11-12-26(14-16)18-5-3-2-4-6-18/h7-14,18H,2-6,15H2,1H3,(H,24,28)(H,25,30)/b20-13+
InChIKeyDFVKFFCODHISLN-DEDYPNTBSA-N
MW422.49 g/mol
LogP3.53
Rot. Bonds6

About 2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 50854766) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID50854766
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccn(C4CCCCC4)c3)C2=O)cc1
InChIInChI=1S/C23H26N4O4/c1-31-19-9-7-17(8-10-19)24-21(28)15-27-22(29)20(25-23(27)30)13-16-11-12-26(14-16)18-5-3-2-4-6-18/h7-14,18H,2-6,15H2,1H3,(H,24,28)(H,25,30)/b20-13+
InChIKeyDFVKFFCODHISLN-DEDYPNTBSA-N
XLogP3.53
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
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

N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126233774
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126229568
2-[(4Z)-2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16632775
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 34602255
(5E)-3-benzyl-5-[(1-cyclohexylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 50854678
2-[(4Z)-4-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46499443
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632796
N-(4-chlorophenyl)-2-[4-[[3-(3-methoxyphenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 77425707
5-[(4-methoxyphenyl)methylidene]-3-(2-oxopropyl)imidazolidine-2,4-dione
CID 139624764
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632809
methyl 2-[(5Z)-5-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 50854896
2-[(4Z)-4-[[4-(2-amino-2-oxoethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 6240818

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 50854766) is 2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccn(C4CCCCC4)c3)C2=O)cc1.
What is the InChIKey of 2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is DFVKFFCODHISLN-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-31-19-9-7-17(8-10-19)24-21(28)15-27-22(29)20(25-23(27)30)13-16-11-12-26(14-16)18-5-3-2-4-6-18/h7-14,18H,2-6,15H2,1H3,(H,24,28)(H,25,30)/b20-13+.
What are the key properties of 2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 422.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(1-cyclohexylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 50854766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).