2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C20H21NO4 — CID 119108687

IUPAC2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCCOc1cccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c1
InChIInChI=1S/C20H21NO4/c1-2-25-17-9-5-8-16(10-17)21-18(22)13-20(19(23)24)11-14-6-3-4-7-15(14)12-20/h3-10H,2,11-13H2,1H3,(H,21,22)(H,23,24)
InChIKeyOFJSHEAOQNXUJY-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.28
Rot. Bonds6

About 2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119108687) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119108687
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCCOc1cccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c1
InChIInChI=1S/C20H21NO4/c1-2-25-17-9-5-8-16(10-17)21-18(22)13-20(19(23)24)11-14-6-3-4-7-15(14)12-20/h3-10H,2,11-13H2,1H3,(H,21,22)(H,23,24)
InChIKeyOFJSHEAOQNXUJY-UHFFFAOYSA-N
XLogP3.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
2-[2-oxo-2-[3-(propan-2-yloxymethyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108696
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108628
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
1-(3-ethoxyphenyl)-3-phenylthiourea
CID 3249532

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119108687) is 2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is CCOc1cccc(NC(=O)CC2(C(=O)O)Cc3ccccc3C2)c1.
What is the InChIKey of 2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is OFJSHEAOQNXUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-25-17-9-5-8-16(10-17)21-18(22)13-20(19(23)24)11-14-6-3-4-7-15(14)12-20/h3-10H,2,11-13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxyanilino)-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119108687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).