2-(3-ethoxy-2-nitrophenyl)acetamide

C10H12N2O4 — CID 69300163

IUPAC2-(3-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1cccc(CC(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-2-16-8-5-3-4-7(6-9(11)13)10(8)12(14)15/h3-5H,2,6H2,1H3,(H2,11,13)
InChIKeyKQXLRZZPXSNOOJ-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.02
Rot. Bonds5

About 2-(3-ethoxy-2-nitrophenyl)acetamide

2-(3-ethoxy-2-nitrophenyl)acetamide (PubChem CID 69300163) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(3-ethoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxy-2-nitrophenyl)acetamide
PubChem CID69300163
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(3-ethoxy-2-nitrophenyl)acetamide
SMILESCCOc1cccc(CC(N)=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-2-16-8-5-3-4-7(6-9(11)13)10(8)12(14)15/h3-5H,2,6H2,1H3,(H2,11,13)
InChIKeyKQXLRZZPXSNOOJ-UHFFFAOYSA-N
XLogP1.02
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.02
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'}

Analyze 2-(3-ethoxy-2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-2-nitrobenzoyl chloride
CID 139644234
1-ethoxy-3-iodo-2-nitrobenzene
CID 135336837
ethyl 3-(2-nitro-3-propan-2-yloxyphenyl)-2-oxopropanoate
CID 11208654
2-(2-ethoxy-6-nitrophenyl)acetic acid
CID 84689611
2-(3-ethoxy-N-ethyl-2-nitroanilino)acetic acid
CID 113392862
2-(3-ethoxy-2-nitrophenyl)-4-methylpentanoic acid
CID 104571808
[4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine
CID 106485640
2-(3-ethoxy-2-nitroanilino)butanoic acid
CID 113392860
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
[3-(2-methoxyethoxy)-2-nitrophenyl] carbamate
CID 175523343
ethyl 2-nitro-3-(2-oxopropyl)benzoate
CID 134642479
3-(2-ethoxyethoxy)-2-nitroaniline
CID 80858319

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-ethoxy-2-nitrophenyl)acetamide (CID 69300163) is 2-(3-ethoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-ethoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-ethoxy-2-nitrophenyl)acetamide is CCOc1cccc(CC(N)=O)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-ethoxy-2-nitrophenyl)acetamide?
The InChIKey is KQXLRZZPXSNOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-16-8-5-3-4-7(6-9(11)13)10(8)12(14)15/h3-5H,2,6H2,1H3,(H2,11,13).
What are the key properties of 2-(3-ethoxy-2-nitrophenyl)acetamide?
2-(3-ethoxy-2-nitrophenyl)acetamide has a molecular weight of 224.22 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 69300163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).