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

C19H20N2O3 — CID 2340529

IUPACethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-2-24-19(23)15-7-9-16(10-8-15)20-13-18(22)21-12-11-14-5-3-4-6-17(14)21/h3-10,20H,2,11-13H2,1H3
InChIKeyVYOPKNIPBFZAHS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.86
Rot. Bonds5

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

ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate (PubChem CID 2340529) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
PubChem CID2340529
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-2-24-19(23)15-7-9-16(10-8-15)20-13-18(22)21-12-11-14-5-3-4-6-17(14)21/h3-10,20H,2,11-13H2,1H3
InChIKeyVYOPKNIPBFZAHS-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate (CID 2340529) is ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccc(NCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
The InChIKey is VYOPKNIPBFZAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-24-19(23)15-7-9-16(10-8-15)20-13-18(22)21-12-11-14-5-3-4-6-17(14)21/h3-10,20H,2,11-13H2,1H3.
What are the key properties of ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate?
ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate has a molecular weight of 324.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 2340529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).