4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide

C18H18N2O5 — CID 9199687

IUPAC4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2C=O)cc1
InChIInChI=1S/C18H18N2O5/c1-19-18(23)12-3-5-14(6-4-12)20-17(22)11-25-16-8-7-15(24-2)9-13(16)10-21/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyGUTAJWDWCGDDRW-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.88
Rot. Bonds7

About 4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide

4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide (PubChem CID 9199687) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide
PubChem CID9199687
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2C=O)cc1
InChIInChI=1S/C18H18N2O5/c1-19-18(23)12-3-5-14(6-4-12)20-17(22)11-25-16-8-7-15(24-2)9-13(16)10-21/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyGUTAJWDWCGDDRW-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634202
4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide
CID 27972767
2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 8633989
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54814140
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide (CID 9199687) is 4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2C=O)cc1.
What is the InChIKey of 4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide?
The InChIKey is GUTAJWDWCGDDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-19-18(23)12-3-5-14(6-4-12)20-17(22)11-25-16-8-7-15(24-2)9-13(16)10-21/h3-10H,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide?
4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide has a molecular weight of 342.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 9199687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).