[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate

C29H23NO4 — CID 126189341

IUPAC[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H23NO4/c1-20-12-14-23(15-13-20)28(32)30-25-18-16-24(17-19-25)29(33)34-27(22-10-6-3-7-11-22)26(31)21-8-4-2-5-9-21/h2-19,27H,1H3,(H,30,32)/t27-/m1/s1
InChIKeyRABJMLDALZYKNZ-HHHXNRCGSA-N
MW449.51 g/mol
LogP6.03
Rot. Bonds7

About [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate

[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate (PubChem CID 126189341) has the molecular formula C29H23NO4 and a molecular weight of 449.51 g/mol. Its IUPAC name is [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
PubChem CID126189341
Molecular FormulaC29H23NO4
Molecular Weight449.51 g/mol
Exact Mass449.16
IUPAC Name[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C29H23NO4/c1-20-12-14-23(15-13-20)28(32)30-25-18-16-24(17-19-25)29(33)34-27(22-10-6-3-7-11-22)26(31)21-8-4-2-5-9-21/h2-19,27H,1H3,(H,30,32)/t27-/m1/s1
InChIKeyRABJMLDALZYKNZ-HHHXNRCGSA-N
XLogP6.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate with MolForge

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Related Compounds

[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126187705
[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126177869
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320838
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
[(1R)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 4-[(4-methylphenoxy)methyl]benzoate
CID 126185857
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate
CID 1217838
[(1S)-2-oxo-1,2-diphenylethyl] 4-(dimethylamino)benzoate
CID 1296728
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3-fluorobenzoate
CID 8612028
1-O-methyl 2-O-[2-(4-methylanilino)-2-oxo-1-phenylethyl] benzene-1,2-dicarboxylate
CID 56506522

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate?
The IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate (CID 126189341) is [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate?
The canonical SMILES for [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate is Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate?
The InChIKey is RABJMLDALZYKNZ-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H23NO4/c1-20-12-14-23(15-13-20)28(32)30-25-18-16-24(17-19-25)29(33)34-27(22-10-6-3-7-11-22)26(31)21-8-4-2-5-9-21/h2-19,27H,1H3,(H,30,32)/t27-/m1/s1.
What are the key properties of [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate?
[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate has a molecular weight of 449.51 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 126189341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).