2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide

C20H20N2O6 — CID 2925781

IUPAC2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
SMILESCOc1ccc(C(=O)CC2(O)C(=O)N(CC(N)=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C20H20N2O6/c1-27-12-7-8-13(17(9-12)28-2)16(23)10-20(26)14-5-3-4-6-15(14)22(19(20)25)11-18(21)24/h3-9,26H,10-11H2,1-2H3,(H2,21,24)
InChIKeyAAFXTNABGZBSNK-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.00
Rot. Bonds7

About 2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide

2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide (PubChem CID 2925781) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
PubChem CID2925781
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide
SMILESCOc1ccc(C(=O)CC2(O)C(=O)N(CC(N)=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C20H20N2O6/c1-27-12-7-8-13(17(9-12)28-2)16(23)10-20(26)14-5-3-4-6-15(14)22(19(20)25)11-18(21)24/h3-9,26H,10-11H2,1-2H3,(H2,21,24)
InChIKeyAAFXTNABGZBSNK-UHFFFAOYSA-N
XLogP1.00
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
The IUPAC name of 2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide (CID 2925781) is 2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
The canonical SMILES for 2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide is COc1ccc(C(=O)CC2(O)C(=O)N(CC(N)=O)c3ccccc32)c(OC)c1.
What is the InChIKey of 2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
The InChIKey is AAFXTNABGZBSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-27-12-7-8-13(17(9-12)28-2)16(23)10-20(26)14-5-3-4-6-15(14)22(19(20)25)11-18(21)24/h3-9,26H,10-11H2,1-2H3,(H2,21,24).
What are the key properties of 2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide?
2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide has a molecular weight of 384.39 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 2925781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).