2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide

C20H18N4O7 — CID 55510917

IUPAC2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCCOc1ccccc1N1C(=O)C(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O
InChIInChI=1S/C20H18N4O7/c1-3-31-16-10-5-4-8-15(16)23-19(27)18(26)22(20(23)28)11-17(25)21-13-7-6-9-14(12(13)2)24(29)30/h4-10H,3,11H2,1-2H3,(H,21,25)
InChIKeySWWPEKMQPUPYQM-UHFFFAOYSA-N
MW426.39 g/mol
LogP2.24
Rot. Bonds7

About 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide

2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 55510917) has the molecular formula C20H18N4O7 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID55510917
Molecular FormulaC20H18N4O7
Molecular Weight426.39 g/mol
Exact Mass426.12
IUPAC Name2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCCOc1ccccc1N1C(=O)C(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O
InChIInChI=1S/C20H18N4O7/c1-3-31-16-10-5-4-8-15(16)23-19(27)18(26)22(20(23)28)11-17(25)21-13-7-6-9-14(12(13)2)24(29)30/h4-10H,3,11H2,1-2H3,(H,21,25)
InChIKeySWWPEKMQPUPYQM-UHFFFAOYSA-N
XLogP2.24
TPSA139.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', '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-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 55511336
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 55511083
N-(2-methyl-3-nitrophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 2210518
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848
N-(2-ethoxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1300340
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561767
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 40781201
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 55519862
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 893347
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26737786

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide (CID 55510917) is 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide is CCOc1ccccc1N1C(=O)C(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O.
What is the InChIKey of 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is SWWPEKMQPUPYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O7/c1-3-31-16-10-5-4-8-15(16)23-19(27)18(26)22(20(23)28)11-17(25)21-13-7-6-9-14(12(13)2)24(29)30/h4-10H,3,11H2,1-2H3,(H,21,25).
What are the key properties of 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide?
2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 426.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 55510917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).