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

C19H19NO3 — CID 7489293

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H19NO3/c1-14-6-2-3-8-16(14)12-19(22)23-13-18(21)20-11-10-15-7-4-5-9-17(15)20/h2-9H,10-13H2,1H3
InChIKeySGXUCSBMESGPJP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.67
Rot. Bonds4

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 7489293) 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-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID7489293
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCc1ccccc1CC(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H19NO3/c1-14-6-2-3-8-16(14)12-19(22)23-13-18(21)20-11-10-15-7-4-5-9-17(15)20/h2-9H,10-13H2,1H3
InChIKeySGXUCSBMESGPJP-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767831
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779587
3-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108945426
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523992
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4790301
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 46696044
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2401723
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801126
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
CID 46696700

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 7489293) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate is Cc1ccccc1CC(=O)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is SGXUCSBMESGPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14-6-2-3-8-16(14)12-19(22)23-13-18(21)20-11-10-15-7-4-5-9-17(15)20/h2-9H,10-13H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate has a molecular weight of 309.37 g/mol, XLogP of 2.67, 4 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-(2-methylphenyl)acetate is sourced from PubChem (CID 7489293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).