2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide

C14H19NO5 — CID 35721007

IUPAC2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)NCCOC
InChIInChI=1S/C14H19NO5/c1-3-19-13-8-11(9-16)4-5-12(13)20-10-14(17)15-6-7-18-2/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,17)
InChIKeyUFHKHXYIFVZXDY-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.04
Rot. Bonds9

About 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide

2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 35721007) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID35721007
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)NCCOC
InChIInChI=1S/C14H19NO5/c1-3-19-13-8-11(9-16)4-5-12(13)20-10-14(17)15-6-7-18-2/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,17)
InChIKeyUFHKHXYIFVZXDY-UHFFFAOYSA-N
XLogP1.04
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82057058
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide
CID 9201158
N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 34060908
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide
CID 9201164
2-(2-ethoxy-4-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9201182
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36545646
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611948
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 43589731
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide (CID 35721007) is 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide is CCOc1cc(C=O)ccc1OCC(=O)NCCOC.
What is the InChIKey of 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is UFHKHXYIFVZXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-19-13-8-11(9-16)4-5-12(13)20-10-14(17)15-6-7-18-2/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 281.31 g/mol, XLogP of 1.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 35721007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).