3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one

C20H21NO5 — CID 2910623

IUPAC3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
SMILESCCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21
InChIInChI=1S/C20H21NO5/c1-4-21-16-8-6-5-7-15(16)20(24,19(21)23)12-17(22)14-10-9-13(25-2)11-18(14)26-3/h5-11,24H,4,12H2,1-3H3
InChIKeyWXHWJVYKOCEMJS-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.53
Rot. Bonds6

About 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one

3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one (PubChem CID 2910623) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
PubChem CID2910623
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
SMILESCCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21
InChIInChI=1S/C20H21NO5/c1-4-21-16-8-6-5-7-15(16)20(24,19(21)23)12-17(22)14-10-9-13(25-2)11-18(14)26-3/h5-11,24H,4,12H2,1-3H3
InChIKeyWXHWJVYKOCEMJS-UHFFFAOYSA-N
XLogP2.53
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2955658
ethyl {3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 667132
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
CID 2940121
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 3147814
5-(2-Hydroxy-4-methoxybenzoyl)-1-(3-methylphenyl)pyridin-2-one
CID 44818098
5-(2-Hydroxy-4-methoxybenzoyl)-1-(o-tolyl)pyridin-2(1h)-one
CID 44818099
[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-3-hydroxyphenyl] pyrrolidine-1-carboxylate
CID 132819950
(3E)-3-[2-(2,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 6228509
3-hydroxy-3-(5-methoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)-1-methyl-1,3-dihydro-2H-indol-2-one
CID 2863500
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
CID 2909007
3-[2-(2,5-Dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 2927534
3-[2-(2,4-Dimethyl-3-furanyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2-indolone
CID 2956238

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one (CID 2910623) is 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one is CCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The InChIKey is WXHWJVYKOCEMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-4-21-16-8-6-5-7-15(16)20(24,19(21)23)12-17(22)14-10-9-13(25-2)11-18(14)26-3/h5-11,24H,4,12H2,1-3H3.
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one has a molecular weight of 355.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one is sourced from PubChem (CID 2910623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).