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

C25H21NO4 — CID 7758132

IUPAC[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C25H21NO4/c1-2-29-22-15-9-7-13-19(22)25(28)30-16-21(27)23-18-12-6-8-14-20(18)26-24(23)17-10-4-3-5-11-17/h3-15,26H,2,16H2,1H3
InChIKeyVRSGBBDKJNXMPQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.27
Rot. Bonds7

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

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate (PubChem CID 7758132) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate
PubChem CID7758132
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C25H21NO4/c1-2-29-22-15-9-7-13-19(22)25(28)30-16-21(27)23-18-12-6-8-14-20(18)26-24(23)17-10-4-3-5-11-17/h3-15,26H,2,16H2,1H3
InChIKeyVRSGBBDKJNXMPQ-UHFFFAOYSA-N
XLogP5.27
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
CID 7775436
1-O-ethyl 4-O-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate
CID 7851494
[2-oxo-2-(4-phenylphenyl)ethyl] 2-ethoxybenzoate
CID 7758309
[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] 2-[(2-methoxybenzoyl)amino]acetate
CID 29461980
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 24558539
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate
CID 8804245
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818951
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796030
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7951720
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
CID 135734893

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate?
The IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate (CID 7758132) is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate?
The InChIKey is VRSGBBDKJNXMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c1-2-29-22-15-9-7-13-19(22)25(28)30-16-21(27)23-18-12-6-8-14-20(18)26-24(23)17-10-4-3-5-11-17/h3-15,26H,2,16H2,1H3.
What are the key properties of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate?
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate has a molecular weight of 399.45 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate is sourced from PubChem (CID 7758132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).