2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide

C11H14N2O4 — CID 2948027

IUPAC2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCCOCC(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C11H14N2O4/c1-3-17-7-11(14)12-10-5-4-9(13(15)16)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyUQCYCYKJOGXLNZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.88
Rot. Bonds5

About 2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide

2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide (PubChem CID 2948027) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide
PubChem CID2948027
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide
SMILESCCOCC(=O)Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C11H14N2O4/c1-3-17-7-11(14)12-10-5-4-9(13(15)16)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyUQCYCYKJOGXLNZ-UHFFFAOYSA-N
XLogP1.88
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide (CID 2948027) is 2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide is CCOCC(=O)Nc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide?
The InChIKey is UQCYCYKJOGXLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-17-7-11(14)12-10-5-4-9(13(15)16)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,12,14).
What are the key properties of 2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide?
2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide has a molecular weight of 238.24 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 2948027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).