N-(4-ethoxy-3-nitrophenyl)acetamide

C10H12N2O4 — CID 15685

IUPACN-(4-ethoxy-3-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-3-16-10-5-4-8(11-7(2)13)6-9(10)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyUOIPFPSGIAWJAQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.95
Rot. Bonds4

About N-(4-ethoxy-3-nitrophenyl)acetamide

N-(4-ethoxy-3-nitrophenyl)acetamide (PubChem CID 15685) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(4-ethoxy-3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-nitrophenyl)acetamide
PubChem CID15685
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-(4-ethoxy-3-nitrophenyl)acetamide
SMILESCCOc1ccc(NC(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-3-16-10-5-4-8(11-7(2)13)6-9(10)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyUOIPFPSGIAWJAQ-UHFFFAOYSA-N
XLogP1.95
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.95
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 N-(4-ethoxy-3-nitrophenyl)acetamide?
The IUPAC name of N-(4-ethoxy-3-nitrophenyl)acetamide (CID 15685) is N-(4-ethoxy-3-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-ethoxy-3-nitrophenyl)acetamide?
The canonical SMILES for N-(4-ethoxy-3-nitrophenyl)acetamide is CCOc1ccc(NC(C)=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethoxy-3-nitrophenyl)acetamide?
The InChIKey is UOIPFPSGIAWJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-16-10-5-4-8(11-7(2)13)6-9(10)12(14)15/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of N-(4-ethoxy-3-nitrophenyl)acetamide?
N-(4-ethoxy-3-nitrophenyl)acetamide has a molecular weight of 224.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-nitrophenyl)acetamide is sourced from PubChem (CID 15685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).