N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

C13H14N4O4 — CID 134052238

IUPACN-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1
InChIInChI=1S/C13H14N4O4/c1-9-14-7-13(17(19)20)16(9)8-12(18)15-10-4-3-5-11(6-10)21-2/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyQGEMKHULEAGZPC-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.75
Rot. Bonds5

About N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (PubChem CID 134052238) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
PubChem CID134052238
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1
InChIInChI=1S/C13H14N4O4/c1-9-14-7-13(17(19)20)16(9)8-12(18)15-10-4-3-5-11(6-10)21-2/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyQGEMKHULEAGZPC-UHFFFAOYSA-N
XLogP1.75
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 2966638
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
2-methoxy-N'-[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]benzohydrazide
CID 155884559
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 53201654
N-(3-methoxyphenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2704946
N-(3-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4818074
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 60911842
2-(4-bromo-5-methylpyrazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 19517730
methyl 3-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylimidazole-4-carboxylate
CID 65171005
N-(3-methoxyphenyl)-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680381
N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075508

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (CID 134052238) is N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is COc1cccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The InChIKey is QGEMKHULEAGZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-9-14-7-13(17(19)20)16(9)8-12(18)15-10-4-3-5-11(6-10)21-2/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide has a molecular weight of 290.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 134052238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).