2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide

C17H17NO4 — CID 844203

IUPAC2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17NO4/c1-2-21-16-10-13(11-19)8-9-15(16)22-12-17(20)18-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyIQUVNNKPGICZQK-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.92
Rot. Bonds7

About 2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide

2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide (PubChem CID 844203) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
PubChem CID844203
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17NO4/c1-2-21-16-10-13(11-19)8-9-15(16)22-12-17(20)18-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,18,20)
InChIKeyIQUVNNKPGICZQK-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
2-(2-ethoxy-4-formylphenoxy)-N-(3-fluorophenyl)acetamide
CID 8009500
2-[2-ethoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenoxy]-N-phenylacetamide
CID 6489928
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 4770105
N-(4-ethoxyphenyl)-2-[2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383482
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8009706
2-(2-ethoxy-4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7820624
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 2986839

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide?
The IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide (CID 844203) is 2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide.
What is the SMILES notation for 2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide?
The canonical SMILES for 2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide is CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide?
The InChIKey is IQUVNNKPGICZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-21-16-10-13(11-19)8-9-15(16)22-12-17(20)18-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,18,20).
What are the key properties of 2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide?
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide has a molecular weight of 299.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide is sourced from PubChem (CID 844203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).