[2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate

C25H23NO4 — CID 2265848

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate
SMILESCc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H23NO4/c1-18-7-13-22(14-8-18)26-24(28)15-16-25(29)30-17-23(27)21-11-9-20(10-12-21)19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,26,28)
InChIKeyWCHREUSABQQCAG-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.81
Rot. Bonds8

About [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate

[2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate (PubChem CID 2265848) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate
PubChem CID2265848
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate
SMILESCc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H23NO4/c1-18-7-13-22(14-8-18)26-24(28)15-16-25(29)30-17-23(27)21-11-9-20(10-12-21)19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,26,28)
InChIKeyWCHREUSABQQCAG-UHFFFAOYSA-N
XLogP4.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate (CID 2265848) is [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate is Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate?
The InChIKey is WCHREUSABQQCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-18-7-13-22(14-8-18)26-24(28)15-16-25(29)30-17-23(27)21-11-9-20(10-12-21)19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,26,28).
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate?
[2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate has a molecular weight of 401.46 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 4-(4-methylanilino)-4-oxobutanoate is sourced from PubChem (CID 2265848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).