(2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate

C28H23NO3 — CID 23906655

IUPAC(2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate
SMILESO=C(CN(c1ccccc1)c1ccccc1)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO3/c30-26(21-29(24-17-9-3-10-18-24)25-19-11-4-12-20-25)32-28(23-15-7-2-8-16-23)27(31)22-13-5-1-6-14-22/h1-20,28H,21H2
InChIKeyLPVFFEDBTLSVPU-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.99
Rot. Bonds8

About (2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate

(2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate (PubChem CID 23906655) has the molecular formula C28H23NO3 and a molecular weight of 421.50 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate
PubChem CID23906655
Molecular FormulaC28H23NO3
Molecular Weight421.50 g/mol
Exact Mass421.17
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate
SMILESO=C(CN(c1ccccc1)c1ccccc1)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23NO3/c30-26(21-29(24-17-9-3-10-18-24)25-19-11-4-12-20-25)32-28(23-15-7-2-8-16-23)27(31)22-13-5-1-6-14-22/h1-20,28H,21H2
InChIKeyLPVFFEDBTLSVPU-UHFFFAOYSA-N
XLogP5.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-1,2-diphenylethyl) but-3-enoate
CID 175286629
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[bis(2-phenylacetyl)amino]acetate
CID 22305550
(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate
CID 2912459
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
[(1S)-2-oxo-1,2-diphenylethyl] 4-(dimethylamino)benzoate
CID 1296728
(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
(2-oxo-1,2-diphenylethyl) 2,2,2-trichloroacetate
CID 101263955
(2S)-2-(2-methylpropoxy)-1,2-diphenylethanone
CID 736037
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 2926303
[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate
CID 7079593

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate (CID 23906655) is (2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate is O=C(CN(c1ccccc1)c1ccccc1)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate?
The InChIKey is LPVFFEDBTLSVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO3/c30-26(21-29(24-17-9-3-10-18-24)25-19-11-4-12-20-25)32-28(23-15-7-2-8-16-23)27(31)22-13-5-1-6-14-22/h1-20,28H,21H2.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate?
(2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate has a molecular weight of 421.50 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-(N-phenylanilino)acetate is sourced from PubChem (CID 23906655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).