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

C16H22N2O5 — CID 9201158

IUPAC2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)COc1ccc(C=O)cc1OCC
InChIInChI=1S/C16H22N2O5/c1-3-7-17-15(20)9-18-16(21)11-23-13-6-5-12(10-19)8-14(13)22-4-2/h5-6,8,10H,3-4,7,9,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyAFEZBBADGOLTAN-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.92
Rot. Bonds10

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

2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide (PubChem CID 9201158) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide
PubChem CID9201158
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)COc1ccc(C=O)cc1OCC
InChIInChI=1S/C16H22N2O5/c1-3-7-17-15(20)9-18-16(21)11-23-13-6-5-12(10-19)8-14(13)22-4-2/h5-6,8,10H,3-4,7,9,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyAFEZBBADGOLTAN-UHFFFAOYSA-N
XLogP0.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.92
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-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide
CID 9201164
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007
2-(2-bromo-4-formylphenoxy)-N-propylacetamide
CID 55025685
2-(2-ethoxy-4-formylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9201182
N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 34060908
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36545646
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9480867
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 4770105

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide (CID 9201158) is 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)COc1ccc(C=O)cc1OCC.
What is the InChIKey of 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide?
The InChIKey is AFEZBBADGOLTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-3-7-17-15(20)9-18-16(21)11-23-13-6-5-12(10-19)8-14(13)22-4-2/h5-6,8,10H,3-4,7,9,11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide?
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide has a molecular weight of 322.36 g/mol, XLogP of 0.92, 10 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-propylacetamide is sourced from PubChem (CID 9201158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).