[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate

C25H23NO5 — CID 7771214

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OCc2cccc(C)c2)cc1
InChIInChI=1S/C25H23NO5/c1-17-6-5-7-19(14-17)15-30-24-9-4-3-8-22(24)25(29)31-16-23(28)20-10-12-21(13-11-20)26-18(2)27/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyKFMKKMQPGXWLDR-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.57
Rot. Bonds8

About [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate

[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate (PubChem CID 7771214) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
PubChem CID7771214
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OCc2cccc(C)c2)cc1
InChIInChI=1S/C25H23NO5/c1-17-6-5-7-19(14-17)15-30-24-9-4-3-8-22(24)25(29)31-16-23(28)20-10-12-21(13-11-20)26-18(2)27/h3-14H,15-16H2,1-2H3,(H,26,27)
InChIKeyKFMKKMQPGXWLDR-UHFFFAOYSA-N
XLogP4.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate 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-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16556425
[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
CID 18075363
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7399166
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
phenacyl 2-phenylmethoxybenzoate
CID 2565163
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 42979686
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771188
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 2500439
phenacyl 2-[(3-bromophenyl)methoxy]benzoate
CID 18274703
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 16593967

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate (CID 7771214) is [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate is CC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OCc2cccc(C)c2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate?
The InChIKey is KFMKKMQPGXWLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-17-6-5-7-19(14-17)15-30-24-9-4-3-8-22(24)25(29)31-16-23(28)20-10-12-21(13-11-20)26-18(2)27/h3-14H,15-16H2,1-2H3,(H,26,27).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate has a molecular weight of 417.46 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 7771214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).