N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide

C13H14N4O5 — CID 690914

IUPACN-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C13H14N4O5/c1-21-9-3-4-10(11(5-9)22-2)15-13(18)7-16-6-12(14-8-16)17(19)20/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyOSEQRNXHDDCDSS-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.45
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide (PubChem CID 690914) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
PubChem CID690914
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C13H14N4O5/c1-21-9-3-4-10(11(5-9)22-2)15-13(18)7-16-6-12(14-8-16)17(19)20/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyOSEQRNXHDDCDSS-UHFFFAOYSA-N
XLogP1.45
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749626
N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 24650230
N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 33356171
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 24669560
N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 862879
N-(2,4-dimethoxyphenyl)-2-(2-methyl-6-nitro-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 110831814
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063856
methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241487
2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 24669609
N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
CID 19516847
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 34271913

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide (CID 690914) is N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide is COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide?
The InChIKey is OSEQRNXHDDCDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5/c1-21-9-3-4-10(11(5-9)22-2)15-13(18)7-16-6-12(14-8-16)17(19)20/h3-6,8H,7H2,1-2H3,(H,15,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide has a molecular weight of 306.28 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 690914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).