ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate

C21H21NO6 — CID 667132

IUPACethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21
InChIInChI=1S/C21H21NO6/c1-3-28-19(24)13-22-17-10-5-4-9-16(17)21(26,20(22)25)12-18(23)14-7-6-8-15(11-14)27-2/h4-11,26H,3,12-13H2,1-2H3
InChIKeyUMBFHBDSWQYUJA-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.07
Rot. Bonds7

About ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate

ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate (PubChem CID 667132) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
PubChem CID667132
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Nameethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21
InChIInChI=1S/C21H21NO6/c1-3-28-19(24)13-22-17-10-5-4-9-16(17)21(26,20(22)25)12-18(23)14-7-6-8-15(11-14)27-2/h4-11,26H,3,12-13H2,1-2H3
InChIKeyUMBFHBDSWQYUJA-UHFFFAOYSA-N
XLogP2.07
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate (CID 667132) is ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate is CCOC(=O)CN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate?
The InChIKey is UMBFHBDSWQYUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-3-28-19(24)13-22-17-10-5-4-9-16(17)21(26,20(22)25)12-18(23)14-7-6-8-15(11-14)27-2/h4-11,26H,3,12-13H2,1-2H3.
What are the key properties of ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate?
ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate has a molecular weight of 383.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 667132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).