[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate

C21H23NO4 — CID 24979552

IUPAC[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1cc(C)c(C(=O)COC(=O)CNC(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C21H23NO4/c1-13-9-15(3)20(16(4)10-13)18(23)12-26-19(24)11-22-21(25)17-8-6-5-7-14(17)2/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyGCPWTHVQOSYUED-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.08
Rot. Bonds6

About [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 24979552) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
PubChem CID24979552
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1cc(C)c(C(=O)COC(=O)CNC(=O)c2ccccc2C)c(C)c1
InChIInChI=1S/C21H23NO4/c1-13-9-15(3)20(16(4)10-13)18(23)12-26-19(24)11-22-21(25)17-8-6-5-7-14(17)2/h5-10H,11-12H2,1-4H3,(H,22,25)
InChIKeyGCPWTHVQOSYUED-UHFFFAOYSA-N
XLogP3.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate (CID 24979552) is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate is Cc1cc(C)c(C(=O)COC(=O)CNC(=O)c2ccccc2C)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is GCPWTHVQOSYUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13-9-15(3)20(16(4)10-13)18(23)12-26-19(24)11-22-21(25)17-8-6-5-7-14(17)2/h5-10H,11-12H2,1-4H3,(H,22,25).
What are the key properties of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate?
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 353.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 24979552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).