N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide

C18H18N2O5 — CID 8634202

IUPACN-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)c(C=O)c1
InChIInChI=1S/C18H18N2O5/c1-12(22)19-14-3-5-15(6-4-14)20-18(23)11-25-17-8-7-16(24-2)9-13(17)10-21/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGRLHGYONSYBJEU-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.48
Rot. Bonds7

About N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide

N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide (PubChem CID 8634202) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
PubChem CID8634202
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)c(C=O)c1
InChIInChI=1S/C18H18N2O5/c1-12(22)19-14-3-5-15(6-4-14)20-18(23)11-25-17-8-7-16(24-2)9-13(17)10-21/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGRLHGYONSYBJEU-UHFFFAOYSA-N
XLogP2.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)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

4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide
CID 9199687
2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 8633989
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
2-(2-bromo-4-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 104704640
2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide (CID 8634202) is N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)c(C=O)c1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide?
The InChIKey is GRLHGYONSYBJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-12(22)19-14-3-5-15(6-4-14)20-18(23)11-25-17-8-7-16(24-2)9-13(17)10-21/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide?
N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide has a molecular weight of 342.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide is sourced from PubChem (CID 8634202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).