[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate

C24H29NO4 — CID 8611984

IUPAC[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)c2ccc(C(C)C)cc2C(C)C)cc1
InChIInChI=1S/C24H29NO4/c1-15(2)19-8-11-21(22(13-19)16(3)4)23(27)14-29-24(28)12-18-6-9-20(10-7-18)25-17(5)26/h6-11,13,15-16H,12,14H2,1-5H3,(H,25,26)
InChIKeyFLZHOHOQEPDQNG-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.86
Rot. Bonds8

About [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate

[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8611984) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8611984
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)c2ccc(C(C)C)cc2C(C)C)cc1
InChIInChI=1S/C24H29NO4/c1-15(2)19-8-11-21(22(13-19)16(3)4)23(27)14-29-24(28)12-18-6-9-20(10-7-18)25-17(5)26/h6-11,13,15-16H,12,14H2,1-5H3,(H,25,26)
InChIKeyFLZHOHOQEPDQNG-UHFFFAOYSA-N
XLogP4.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-acetamidophenyl)acetate
CID 8611757
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-acetamidophenyl)acetate
CID 8609852
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8611881
[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-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8611810
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate
CID 71822824
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate
CID 32915458
cyanomethyl 2-(4-acetamidophenyl)acetate
CID 8608142

Frequently Asked Questions

What is the IUPAC name of [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate (CID 8611984) is [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(=O)c2ccc(C(C)C)cc2C(C)C)cc1.
What is the InChIKey of [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is FLZHOHOQEPDQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-15(2)19-8-11-21(22(13-19)16(3)4)23(27)14-29-24(28)12-18-6-9-20(10-7-18)25-17(5)26/h6-11,13,15-16H,12,14H2,1-5H3,(H,25,26).
What are the key properties of [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 395.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8611984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).