(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate

C23H17NO4 — CID 23990439

IUPAC(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H17NO4/c24-15-17-11-13-20(14-12-17)27-16-21(25)28-23(19-9-5-2-6-10-19)22(26)18-7-3-1-4-8-18/h1-14,23H,16H2
InChIKeyHKPROQXXIKABEB-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.10
Rot. Bonds7

About (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate

(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate (PubChem CID 23990439) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate
PubChem CID23990439
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H17NO4/c24-15-17-11-13-20(14-12-17)27-16-21(25)28-23(19-9-5-2-6-10-19)22(26)18-7-3-1-4-8-18/h1-14,23H,16H2
InChIKeyHKPROQXXIKABEB-UHFFFAOYSA-N
XLogP4.10
TPSA76.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-oxo-1,2-diphenylethyl) 2-(4-chlorophenoxy)acetate
CID 3488846
[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 9140873
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 7843330
(2-oxo-1,2-diphenylethyl) 2-(2-methylphenoxy)acetate
CID 2912459
[(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 42524266
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(4-benzoylphenoxy)acetate
CID 7701818
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-cyanophenoxy)acetate
CID 7842738
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9140965
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141078
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate (CID 23990439) is (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate is N#Cc1ccc(OCC(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate?
The InChIKey is HKPROQXXIKABEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c24-15-17-11-13-20(14-12-17)27-16-21(25)28-23(19-9-5-2-6-10-19)22(26)18-7-3-1-4-8-18/h1-14,23H,16H2.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate?
(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate has a molecular weight of 371.39 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 23990439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).