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

C18H18N2O3 — CID 2542921

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-19-15-8-4-3-7-14(15)18(22)23-12-17(21)20-11-10-13-6-2-5-9-16(13)20/h2-9,19H,10-12H2,1H3
InChIKeyZYVBWXNLICXPPM-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.47
Rot. Bonds4

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 2542921) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID2542921
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-19-15-8-4-3-7-14(15)18(22)23-12-17(21)20-11-10-13-6-2-5-9-16(13)20/h2-9,19H,10-12H2,1H3
InChIKeyZYVBWXNLICXPPM-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27065887
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 2419372
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-benzamidobenzoate
CID 7835824
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25036937
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 3887060
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108953302
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 16520788
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
CID 2429900
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619950
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 4693287

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate (CID 2542921) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is ZYVBWXNLICXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19-15-8-4-3-7-14(15)18(22)23-12-17(21)20-11-10-13-6-2-5-9-16(13)20/h2-9,19H,10-12H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 310.35 g/mol, XLogP of 2.47, 4 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-(methylamino)benzoate is sourced from PubChem (CID 2542921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).