[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate

C20H21NO3 — CID 4782126

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1C
InChIInChI=1S/C20H21NO3/c1-13-7-6-9-17(15(13)3)20(23)24-12-19(22)21-14(2)11-16-8-4-5-10-18(16)21/h4-10,14H,11-12H2,1-3H3
InChIKeyFJZDJFMMTZUJKA-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.44
Rot. Bonds3

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate (PubChem CID 4782126) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate
PubChem CID4782126
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1C
InChIInChI=1S/C20H21NO3/c1-13-7-6-9-17(15(13)3)20(23)24-12-19(22)21-14(2)11-16-8-4-5-10-18(16)21/h4-10,14H,11-12H2,1-3H3
InChIKeyFJZDJFMMTZUJKA-UHFFFAOYSA-N
XLogP3.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate (CID 4782126) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate is Cc1cccc(C(=O)OCC(=O)N2c3ccccc3CC2C)c1C.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The InChIKey is FJZDJFMMTZUJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13-7-6-9-17(15(13)3)20(23)24-12-19(22)21-14(2)11-16-8-4-5-10-18(16)21/h4-10,14H,11-12H2,1-3H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate has a molecular weight of 323.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 4782126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).