[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate

C25H21NO3 — CID 7775436

IUPAC[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C25H21NO3/c1-2-17-12-14-19(15-13-17)25(28)29-16-22(27)23-20-10-6-7-11-21(20)26-24(23)18-8-4-3-5-9-18/h3-15,26H,2,16H2,1H3
InChIKeySFTHDKRBHJXSRZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.44
Rot. Bonds6

About [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate (PubChem CID 7775436) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
PubChem CID7775436
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C25H21NO3/c1-2-17-12-14-19(15-13-17)25(28)29-16-22(27)23-20-10-6-7-11-21(20)26-24(23)18-8-4-3-5-9-18/h3-15,26H,2,16H2,1H3
InChIKeySFTHDKRBHJXSRZ-UHFFFAOYSA-N
XLogP5.44
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818951
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
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[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate
CID 7758132
1-O-ethyl 4-O-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate
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[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 24558539
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209430
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7191600
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
CID 7599864
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate
CID 8804245
ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate
CID 11441462
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 42984073
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate?
The IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate (CID 7775436) is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate?
The canonical SMILES for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate is CCc1ccc(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate?
The InChIKey is SFTHDKRBHJXSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-2-17-12-14-19(15-13-17)25(28)29-16-22(27)23-20-10-6-7-11-21(20)26-24(23)18-8-4-3-5-9-18/h3-15,26H,2,16H2,1H3.
What are the key properties of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate?
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate has a molecular weight of 383.45 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate is sourced from PubChem (CID 7775436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).