2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide

C15H20N2O5 — CID 9201164

IUPAC2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)COc1ccc(C=O)cc1OCC
InChIInChI=1S/C15H20N2O5/c1-3-16-14(19)8-17-15(20)10-22-12-6-5-11(9-18)7-13(12)21-4-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWNJYTGIEZTYDTG-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.53
Rot. Bonds9

About 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide

2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide (PubChem CID 9201164) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide
PubChem CID9201164
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)COc1ccc(C=O)cc1OCC
InChIInChI=1S/C15H20N2O5/c1-3-16-14(19)8-17-15(20)10-22-12-6-5-11(9-18)7-13(12)21-4-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWNJYTGIEZTYDTG-UHFFFAOYSA-N
XLogP0.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.53
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

2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide
CID 9201158
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007
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-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9480867
2-(2-ethoxy-4-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9201182
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
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-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide (CID 9201164) is 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide is CCNC(=O)CNC(=O)COc1ccc(C=O)cc1OCC.
What is the InChIKey of 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide?
The InChIKey is WNJYTGIEZTYDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-3-16-14(19)8-17-15(20)10-22-12-6-5-11(9-18)7-13(12)21-4-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide?
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide has a molecular weight of 308.33 g/mol, XLogP of 0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide is sourced from PubChem (CID 9201164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).