(2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate

C25H19NO4 — CID 140889277

IUPAC(2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate
SMILESO=C(CC(=O)c1c[nH]c2ccccc12)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19NO4/c27-22(20-16-26-21-14-8-7-13-19(20)21)15-23(28)30-25(18-11-5-2-6-12-18)24(29)17-9-3-1-4-10-17/h1-14,16,25-26H,15H2
InChIKeyUGBPUVUDPCPCBZ-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.91
Rot. Bonds7

About (2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate

(2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate (PubChem CID 140889277) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate
PubChem CID140889277
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name(2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate
SMILESO=C(CC(=O)c1c[nH]c2ccccc12)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19NO4/c27-22(20-16-26-21-14-8-7-13-19(20)21)15-23(28)30-25(18-11-5-2-6-12-18)24(29)17-9-3-1-4-10-17/h1-14,16,25-26H,15H2
InChIKeyUGBPUVUDPCPCBZ-UHFFFAOYSA-N
XLogP4.91
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate 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-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)acetate
CID 3574939
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 5002393
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 16540197
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3282092
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate
CID 18205599
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533898
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 4571389
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-formylbenzoate
CID 7966376
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(diethylamino)benzoate
CID 2083622
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 1H-indole-3-carboxylate
CID 8606163
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate (CID 140889277) is (2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate is O=C(CC(=O)c1c[nH]c2ccccc12)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate?
The InChIKey is UGBPUVUDPCPCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4/c27-22(20-16-26-21-14-8-7-13-19(20)21)15-23(28)30-25(18-11-5-2-6-12-18)24(29)17-9-3-1-4-10-17/h1-14,16,25-26H,15H2.
What are the key properties of (2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate?
(2-oxo-1,2-diphenylethyl) 3-(1H-indol-3-yl)-3-oxopropanoate has a molecular weight of 397.43 g/mol, XLogP of 4.91, 7 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) 3-(1H-indol-3-yl)-3-oxopropanoate is sourced from PubChem (CID 140889277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).