[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate

C19H19NO3 — CID 2355571

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C19H19NO3/c1-13-7-8-16(14(2)11-13)19(22)23-12-18(21)20-10-9-15-5-3-4-6-17(15)20/h3-8,11H,9-10,12H2,1-2H3
InChIKeyNXHHBXRVMWGSCW-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.05
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate (PubChem CID 2355571) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate
PubChem CID2355571
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C19H19NO3/c1-13-7-8-16(14(2)11-13)19(22)23-12-18(21)20-10-9-15-5-3-4-6-17(15)20/h3-8,11H,9-10,12H2,1-2H3
InChIKeyNXHHBXRVMWGSCW-UHFFFAOYSA-N
XLogP3.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate (CID 2355571) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate is Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)c(C)c1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate?
The InChIKey is NXHHBXRVMWGSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-7-8-16(14(2)11-13)19(22)23-12-18(21)20-10-9-15-5-3-4-6-17(15)20/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate has a molecular weight of 309.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,4-dimethylbenzoate is sourced from PubChem (CID 2355571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).