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

C20H18N4O8 — CID 126245247

IUPAC2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C20H18N4O8/c1-31-15-6-4-3-5-12(15)21-17(25)10-23-19(27)13(22-20(23)28)7-11-8-14(24(29)30)18(26)16(9-11)32-2/h3-9,26H,10H2,1-2H3,(H,21,25)(H,22,28)/b13-7+
InChIKeyGBPIHVMEZPQTKP-NTUHNPAUSA-N
MW442.38 g/mol
LogP1.85
Rot. Bonds7

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

2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 126245247) has the molecular formula C20H18N4O8 and a molecular weight of 442.38 g/mol. Its IUPAC name is 2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID126245247
Molecular FormulaC20H18N4O8
Molecular Weight442.38 g/mol
Exact Mass442.11
IUPAC Name2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C20H18N4O8/c1-31-15-6-4-3-5-12(15)21-17(25)10-23-19(27)13(22-20(23)28)7-11-8-14(24(29)30)18(26)16(9-11)32-2/h3-9,26H,10H2,1-2H3,(H,21,25)(H,22,28)/b13-7+
InChIKeyGBPIHVMEZPQTKP-NTUHNPAUSA-N
XLogP1.85
TPSA160.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126244729
2-[(4E)-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126257287
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4654642
N-(2-methoxyphenyl)-2-[(4E)-4-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126246862
N-(2-methoxyphenyl)-2-[(4E)-4-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126236866
2-[(5E)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-naphthalen-1-ylacetamide
CID 126368386
2-[(4E)-4-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126227257
methyl 2-[2-bromo-6-methoxy-4-[(E)-[1-[2-(2-methoxyanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate
CID 126251820
2-[(4E)-2,5-dioxo-4-[(2,4,6-trimethylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126238859
2-[2,6-dichloro-4-[(E)-[1-[2-(2-methoxyanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126234998
N-(2-methoxyphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17354273
2-[(4E)-4-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126229198

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 126245247) is 2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is GBPIHVMEZPQTKP-NTUHNPAUSA-N. The full InChI is InChI=1S/C20H18N4O8/c1-31-15-6-4-3-5-12(15)21-17(25)10-23-19(27)13(22-20(23)28)7-11-8-14(24(29)30)18(26)16(9-11)32-2/h3-9,26H,10H2,1-2H3,(H,21,25)(H,22,28)/b13-7+.
What are the key properties of 2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 442.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 126245247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).