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

C17H16N2O3 — CID 1089231

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16N2O3/c18-14-7-3-2-6-13(14)17(21)22-11-16(20)19-10-9-12-5-1-4-8-15(12)19/h1-8H,9-11,18H2
InChIKeyDVRFPRUTOAQODO-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.01
Rot. Bonds3

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate (PubChem CID 1089231) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate
PubChem CID1089231
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16N2O3/c18-14-7-3-2-6-13(14)17(21)22-11-16(20)19-10-9-12-5-1-4-8-15(12)19/h1-8H,9-11,18H2
InChIKeyDVRFPRUTOAQODO-UHFFFAOYSA-N
XLogP2.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate (CID 1089231) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate is Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate?
The InChIKey is DVRFPRUTOAQODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c18-14-7-3-2-6-13(14)17(21)22-11-16(20)19-10-9-12-5-1-4-8-15(12)19/h1-8H,9-11,18H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate has a molecular weight of 296.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-aminobenzoate is sourced from PubChem (CID 1089231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).