2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one

C20H22N2O3 — CID 2834232

IUPAC2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one
SMILESCCOC1(C)C(=O)c2ccccc2N1Nc1ccccc1C(=O)CC
InChIInChI=1S/C20H22N2O3/c1-4-18(23)14-10-6-8-12-16(14)21-22-17-13-9-7-11-15(17)19(24)20(22,3)25-5-2/h6-13,21H,4-5H2,1-3H3
InChIKeyOFXGCVBGXKIUNO-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.06
Rot. Bonds6

About 2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one

2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one (PubChem CID 2834232) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one
PubChem CID2834232
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one
SMILESCCOC1(C)C(=O)c2ccccc2N1Nc1ccccc1C(=O)CC
InChIInChI=1S/C20H22N2O3/c1-4-18(23)14-10-6-8-12-16(14)21-22-17-13-9-7-11-15(17)19(24)20(22,3)25-5-2/h6-13,21H,4-5H2,1-3H3
InChIKeyOFXGCVBGXKIUNO-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one?
The IUPAC name of 2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one (CID 2834232) is 2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one?
The canonical SMILES for 2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one is CCOC1(C)C(=O)c2ccccc2N1Nc1ccccc1C(=O)CC.
What is the InChIKey of 2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one?
The InChIKey is OFXGCVBGXKIUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-18(23)14-10-6-8-12-16(14)21-22-17-13-9-7-11-15(17)19(24)20(22,3)25-5-2/h6-13,21H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one?
2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one has a molecular weight of 338.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one is sourced from PubChem (CID 2834232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).