[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate

C24H21NO4 — CID 2926436

IUPAC[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OC(C(=O)c2ccc(C)cc2)c2ccccc2)c1
InChIInChI=1S/C24H21NO4/c1-16-11-13-18(14-12-16)22(27)23(19-7-4-3-5-8-19)29-24(28)20-9-6-10-21(15-20)25-17(2)26/h3-15,23H,1-2H3,(H,25,26)
InChIKeyZSDOPGCQKBEQLO-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.73
Rot. Bonds6

About [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate

[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate (PubChem CID 2926436) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate
PubChem CID2926436
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OC(C(=O)c2ccc(C)cc2)c2ccccc2)c1
InChIInChI=1S/C24H21NO4/c1-16-11-13-18(14-12-16)22(27)23(19-7-4-3-5-8-19)29-24(28)20-9-6-10-21(15-20)25-17(2)26/h3-15,23H,1-2H3,(H,25,26)
InChIKeyZSDOPGCQKBEQLO-UHFFFAOYSA-N
XLogP4.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate (CID 2926436) is [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OC(C(=O)c2ccc(C)cc2)c2ccccc2)c1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate?
The InChIKey is ZSDOPGCQKBEQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-16-11-13-18(14-12-16)22(27)23(19-7-4-3-5-8-19)29-24(28)20-9-6-10-21(15-20)25-17(2)26/h3-15,23H,1-2H3,(H,25,26).
What are the key properties of [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate?
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate has a molecular weight of 387.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 3-acetamidobenzoate is sourced from PubChem (CID 2926436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).