2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide

C11H14N2O4 — CID 47367990

IUPAC2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCOCC(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O4/c1-17-8-11(14)12-7-6-9-2-4-10(5-3-9)13(15)16/h2-5H,6-8H2,1H3,(H,12,14)
InChIKeyBPOWFLRHGKSDOM-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.90
Rot. Bonds6

About 2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide

2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide (PubChem CID 47367990) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
PubChem CID47367990
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCOCC(=O)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O4/c1-17-8-11(14)12-7-6-9-2-4-10(5-3-9)13(15)16/h2-5H,6-8H2,1H3,(H,12,14)
InChIKeyBPOWFLRHGKSDOM-UHFFFAOYSA-N
XLogP0.90
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.90
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-methoxy-N-[2-(4-nitrophenyl)ethyl]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

2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
N'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451
propan-2-yl N-[2-(4-nitrophenyl)ethyl]carbamate
CID 139655382
3-methyl-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 62965783
3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide
CID 110311190
methyl 2-[2-(4-nitrophenyl)ethylamino]acetate
CID 43519885

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide (CID 47367990) is 2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide is COCC(=O)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide?
The InChIKey is BPOWFLRHGKSDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-8-11(14)12-7-6-9-2-4-10(5-3-9)13(15)16/h2-5H,6-8H2,1H3,(H,12,14).
What are the key properties of 2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide?
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide has a molecular weight of 238.24 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 47367990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).