[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate

C22H25NO4 — CID 8611757

IUPAC[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)c2c(C)cc(C)c(C)c2C)cc1
InChIInChI=1S/C22H25NO4/c1-13-10-14(2)22(16(4)15(13)3)20(25)12-27-21(26)11-18-6-8-19(9-7-18)23-17(5)24/h6-10H,11-12H2,1-5H3,(H,23,24)
InChIKeyGXTUXNBLNODWPT-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.85
Rot. Bonds6

About [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate

[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8611757) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8611757
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)c2c(C)cc(C)c(C)c2C)cc1
InChIInChI=1S/C22H25NO4/c1-13-10-14(2)22(16(4)15(13)3)20(25)12-27-21(26)11-18-6-8-19(9-7-18)23-17(5)24/h6-10H,11-12H2,1-5H3,(H,23,24)
InChIKeyGXTUXNBLNODWPT-UHFFFAOYSA-N
XLogP3.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8611984
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671559
[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8610278
(2,4,6-trimethylphenyl) 2-(4-acetamidophenyl)acetate
CID 32993567
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
cyanomethyl 2-(4-acetamidophenyl)acetate
CID 8608142
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8654312
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608733
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate
CID 8609852

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate (CID 8611757) is [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(=O)c2c(C)cc(C)c(C)c2C)cc1.
What is the InChIKey of [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is GXTUXNBLNODWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-13-10-14(2)22(16(4)15(13)3)20(25)12-27-21(26)11-18-6-8-19(9-7-18)23-17(5)24/h6-10H,11-12H2,1-5H3,(H,23,24).
What are the key properties of [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate?
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 367.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8611757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).