3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one

C21H23NO5 — CID 2940121

IUPAC3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C21H23NO5/c1-4-11-22-16-8-6-5-7-15(16)21(25,20(22)24)13-17(23)14-9-10-18(26-2)19(12-14)27-3/h5-10,12,25H,4,11,13H2,1-3H3
InChIKeyGVQGFEPAXJETEB-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.92
Rot. Bonds7

About 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one (PubChem CID 2940121) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
PubChem CID2940121
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C21H23NO5/c1-4-11-22-16-8-6-5-7-15(16)21(25,20(22)24)13-17(23)14-9-10-18(26-2)19(12-14)27-3/h5-10,12,25H,4,11,13H2,1-3H3
InChIKeyGVQGFEPAXJETEB-UHFFFAOYSA-N
XLogP2.92
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one (CID 2940121) is 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one is CCCN1C(=O)C(O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
The InChIKey is GVQGFEPAXJETEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-4-11-22-16-8-6-5-7-15(16)21(25,20(22)24)13-17(23)14-9-10-18(26-2)19(12-14)27-3/h5-10,12,25H,4,11,13H2,1-3H3.
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one has a molecular weight of 369.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one is sourced from PubChem (CID 2940121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).