N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide

C14H16N4O3 — CID 780277

IUPACN-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1
InChIInChI=1S/C14H16N4O3/c1-3-11-4-6-12(7-5-11)16-14(19)9-17-8-13(18(20)21)15-10(17)2/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyOZZDCYBSVDADHL-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.30
Rot. Bonds5

About N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide

N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide (PubChem CID 780277) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
PubChem CID780277
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1
InChIInChI=1S/C14H16N4O3/c1-3-11-4-6-12(7-5-11)16-14(19)9-17-8-13(18(20)21)15-10(17)2/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyOZZDCYBSVDADHL-UHFFFAOYSA-N
XLogP2.30
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide (CID 780277) is N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide is CCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
The InChIKey is OZZDCYBSVDADHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-11-4-6-12(7-5-11)16-14(19)9-17-8-13(18(20)21)15-10(17)2/h4-8H,3,9H2,1-2H3,(H,16,19).
What are the key properties of N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 780277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).