[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate

C21H21NO3 — CID 7765173

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cccc(C)c3C)c[nH]c12
InChIInChI=1S/C21H21NO3/c1-4-15-8-6-10-17-18(11-22-20(15)17)19(23)12-25-21(24)16-9-5-7-13(2)14(16)3/h5-11,22H,4,12H2,1-3H3
InChIKeyMKQPQSNGAJFJEK-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.39
Rot. Bonds5

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate (PubChem CID 7765173) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
PubChem CID7765173
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cccc(C)c3C)c[nH]c12
InChIInChI=1S/C21H21NO3/c1-4-15-8-6-10-17-18(11-22-20(15)17)19(23)12-25-21(24)16-9-5-7-13(2)14(16)3/h5-11,22H,4,12H2,1-3H3
InChIKeyMKQPQSNGAJFJEK-UHFFFAOYSA-N
XLogP4.39
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate with MolForge

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Related Compounds

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 8015250
(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339292
4-O-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239576
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8015249
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767738
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
CID 7483516
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7873308
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-formylbenzoate
CID 7669451
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7649508
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-nitrobenzoate
CID 7859423
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
trans-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7777256

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate (CID 7765173) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate is CCc1cccc2c(C(=O)COC(=O)c3cccc(C)c3C)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The InChIKey is MKQPQSNGAJFJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-4-15-8-6-10-17-18(11-22-20(15)17)19(23)12-25-21(24)16-9-5-7-13(2)14(16)3/h5-11,22H,4,12H2,1-3H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate has a molecular weight of 335.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 7765173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).