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

C13H17NO4 — CID 2110936

IUPAC2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(C=O)cc1OCC
InChIInChI=1S/C13H17NO4/c1-3-14-13(16)9-18-11-6-5-10(8-15)7-12(11)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyAIXZVWKVCPEYLB-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.41
Rot. Bonds7

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

2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide (PubChem CID 2110936) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
PubChem CID2110936
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(C=O)cc1OCC
InChIInChI=1S/C13H17NO4/c1-3-14-13(16)9-18-11-6-5-10(8-15)7-12(11)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyAIXZVWKVCPEYLB-UHFFFAOYSA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.41
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-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide
CID 9201164
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide
CID 9201158
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36545646
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 55205672
2-(2-ethoxy-4-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9201182
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 9201186
2-(2-ethoxy-4-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8009527

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide?
The IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide (CID 2110936) is 2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide.
What is the SMILES notation for 2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide?
The canonical SMILES for 2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide is CCNC(=O)COc1ccc(C=O)cc1OCC.
What is the InChIKey of 2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide?
The InChIKey is AIXZVWKVCPEYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-14-13(16)9-18-11-6-5-10(8-15)7-12(11)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide?
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide has a molecular weight of 251.28 g/mol, XLogP of 1.41, 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-ethylacetamide is sourced from PubChem (CID 2110936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).