2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide

C14H14N4O6 — CID 7898424

IUPAC2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1=O
InChIInChI=1S/C14H14N4O6/c1-3-16-12(20)13(21)17(14(16)22)7-11(19)15-10-6-9(18(23)24)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,15,19)
InChIKeySDMVXVRGOAJCLL-UHFFFAOYSA-N
MW334.29 g/mol
LogP0.65
Rot. Bonds5

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

2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 7898424) has the molecular formula C14H14N4O6 and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID7898424
Molecular FormulaC14H14N4O6
Molecular Weight334.29 g/mol
Exact Mass334.09
IUPAC Name2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1=O
InChIInChI=1S/C14H14N4O6/c1-3-16-12(20)13(21)17(14(16)22)7-11(19)15-10-6-9(18(23)24)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,15,19)
InChIKeySDMVXVRGOAJCLL-UHFFFAOYSA-N
XLogP0.65
TPSA129.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2489578
2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 3544944
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 2878056
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 18284005
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 4666685
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 126416168
N-(2-methyl-5-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 71627698
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4153492

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide (CID 7898424) is 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide is CCN1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1=O.
What is the InChIKey of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is SDMVXVRGOAJCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O6/c1-3-16-12(20)13(21)17(14(16)22)7-11(19)15-10-6-9(18(23)24)5-4-8(10)2/h4-6H,3,7H2,1-2H3,(H,15,19).
What are the key properties of 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide?
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 334.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 7898424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).