2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide

C20H23NO4 — CID 8010337

IUPAC2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C20H23NO4/c1-5-24-18-10-16(11-22)6-7-17(18)25-12-19(23)21-20-14(3)8-13(2)9-15(20)4/h6-11H,5,12H2,1-4H3,(H,21,23)
InChIKeyAGAXHSKWYGRXTR-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.84
Rot. Bonds7

About 2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide

2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 8010337) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID8010337
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C20H23NO4/c1-5-24-18-10-16(11-22)6-7-17(18)25-12-19(23)21-20-14(3)8-13(2)9-15(20)4/h6-11H,5,12H2,1-4H3,(H,21,23)
InChIKeyAGAXHSKWYGRXTR-UHFFFAOYSA-N
XLogP3.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.84
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-bromo-6-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 17201813
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8010131
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8009706
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 978026
N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 17201671
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
N-(3-chloro-4-methylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 4770105
2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 6457252
2-(2-ethoxy-4-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8009527
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 26217987

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide (CID 8010337) is 2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide is CCOc1cc(C=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is AGAXHSKWYGRXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-24-18-10-16(11-22)6-7-17(18)25-12-19(23)21-20-14(3)8-13(2)9-15(20)4/h6-11H,5,12H2,1-4H3,(H,21,23).
What are the key properties of 2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.84, 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 8010337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).