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

C21H24N2O3 — CID 2386883

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O3/c1-3-22(4-2)18-11-9-17(10-12-18)21(25)26-15-20(24)23-14-13-16-7-5-6-8-19(16)23/h5-12H,3-4,13-15H2,1-2H3
InChIKeyODJOYGNYVUGMJY-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.28
Rot. Bonds6

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate (PubChem CID 2386883) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
PubChem CID2386883
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H24N2O3/c1-3-22(4-2)18-11-9-17(10-12-18)21(25)26-15-20(24)23-14-13-16-7-5-6-8-19(16)23/h5-12H,3-4,13-15H2,1-2H3
InChIKeyODJOYGNYVUGMJY-UHFFFAOYSA-N
XLogP3.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate (CID 2386883) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
The InChIKey is ODJOYGNYVUGMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-22(4-2)18-11-9-17(10-12-18)21(25)26-15-20(24)23-14-13-16-7-5-6-8-19(16)23/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate has a molecular weight of 352.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 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] 4-(diethylamino)benzoate is sourced from PubChem (CID 2386883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).