[2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate

C20H21NO3 — CID 9010557

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
SMILESCCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H21NO3/c1-2-14-6-3-4-9-18(14)21-19(22)13-24-20(23)17-11-10-15-7-5-8-16(15)12-17/h3-4,6,9-12H,2,5,7-8,13H2,1H3,(H,21,22)
InChIKeyULPYYPIXWOYHEV-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.53
Rot. Bonds5

About [2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate

[2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 9010557) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
PubChem CID9010557
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
SMILESCCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H21NO3/c1-2-14-6-3-4-9-18(14)21-19(22)13-24-20(23)17-11-10-15-7-5-8-16(15)12-17/h3-4,6,9-12H,2,5,7-8,13H2,1H3,(H,21,22)
InChIKeyULPYYPIXWOYHEV-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706159
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010395
[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 7483736
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010573
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylbenzoate
CID 7775505
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558698
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010637
[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010530
[2-(4-fluoroanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010553
[2-(2-ethylanilino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744457
[2-(2-ethylanilino)-2-oxoethyl] 3-cyanobenzoate
CID 7454911
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 30388748

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate (CID 9010557) is [2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate is CCc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is ULPYYPIXWOYHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-14-6-3-4-9-18(14)21-19(22)13-24-20(23)17-11-10-15-7-5-8-16(15)12-17/h3-4,6,9-12H,2,5,7-8,13H2,1H3,(H,21,22).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate?
[2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 9010557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).