(2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate

C24H21NO4 — CID 3301428

IUPAC(2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate
SMILESO=C(CCC(=O)OC(C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C24H21NO4/c26-21(25-20-14-8-3-9-15-20)16-17-22(27)29-24(19-12-6-2-7-13-19)23(28)18-10-4-1-5-11-18/h1-15,24H,16-17H2,(H,25,26)
InChIKeyUJMGRULHUQGNAY-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.57
Rot. Bonds8

About (2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate

(2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate (PubChem CID 3301428) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate
PubChem CID3301428
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate
SMILESO=C(CCC(=O)OC(C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C24H21NO4/c26-21(25-20-14-8-3-9-15-20)16-17-22(27)29-24(19-12-6-2-7-13-19)23(28)18-10-4-1-5-11-18/h1-15,24H,16-17H2,(H,25,26)
InChIKeyUJMGRULHUQGNAY-UHFFFAOYSA-N
XLogP4.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-[(5-oxo-2-phenyloxolane-3-carbonyl)amino]benzoate
CID 3939095
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl benzoate
CID 664207
phenacyl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 747118
Methyl 3-benzamidobenzoate
CID 730618
Ethyl 3-(3-phenylpropanoylamino)benzoate
CID 670777
2-Oxo-2-phenylethyl 2-hydroxyquinoline-4-carboxylate
CID 684408
2-(2-Chlorophenyl)-2-oxoethyl 3-(acetylamino)benzoate
CID 902717
2-(4-Fluorophenyl)-2-oxoethyl 2-hydroxy-6-methylquinoline-4-carboxylate
CID 902796
2-(4-Methylphenyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
CID 955509
[2-(4-Acetylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2386868
1-oxo-N-phenyl-3,4-dihydro-1H-isochromene-3-carboxamide
CID 4906278
(2-Oxooxolan-3-yl) 3-acetamidobenzoate
CID 16271866

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate (CID 3301428) is (2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate is O=C(CCC(=O)OC(C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate?
The InChIKey is UJMGRULHUQGNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-21(25-20-14-8-3-9-15-20)16-17-22(27)29-24(19-12-6-2-7-13-19)23(28)18-10-4-1-5-11-18/h1-15,24H,16-17H2,(H,25,26).
What are the key properties of (2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate?
(2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate has a molecular weight of 387.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 4-anilino-4-oxobutanoate is sourced from PubChem (CID 3301428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).