(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one

C21H23NO6 — CID 26414005

IUPAC(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
SMILESCCN1C(=O)[C@@](O)(CC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C21H23NO6/c1-5-22-15-9-7-6-8-14(15)21(25,20(22)24)12-16(23)13-10-17(26-2)19(28-4)18(11-13)27-3/h6-11,25H,5,12H2,1-4H3/t21-/m1/s1
InChIKeyDUNMFKUXJMBZBR-OAQYLSRUSA-N
MW385.42 g/mol
LogP2.54
Rot. Bonds7

About (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one

(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one (PubChem CID 26414005) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one.

Molecular Properties

Compound Name(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
PubChem CID26414005
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
SMILESCCN1C(=O)[C@@](O)(CC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C21H23NO6/c1-5-22-15-9-7-6-8-14(15)21(25,20(22)24)12-16(23)13-10-17(26-2)19(28-4)18(11-13)27-3/h6-11,25H,5,12H2,1-4H3/t21-/m1/s1
InChIKeyDUNMFKUXJMBZBR-OAQYLSRUSA-N
XLogP2.54
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one with MolForge

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Related Compounds

3-hydroxy-1-methyl-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
CID 2972311
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
CID 40823341
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 2914331
(3S)-1-butyl-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 7281128
(3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330472
(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 1162510
(3S)-1-ethyl-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]indol-2-one
CID 1322722
1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 4271426
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330473
(3R)-1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2208142
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909744
(3R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenoxyethyl)indol-2-one
CID 40899465

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one?
The IUPAC name of (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one (CID 26414005) is (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one.
What is the SMILES notation for (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one?
The canonical SMILES for (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one is CCN1C(=O)[C@@](O)(CC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21.
What is the InChIKey of (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one?
The InChIKey is DUNMFKUXJMBZBR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23NO6/c1-5-22-15-9-7-6-8-14(15)21(25,20(22)24)12-16(23)13-10-17(26-2)19(28-4)18(11-13)27-3/h6-11,25H,5,12H2,1-4H3/t21-/m1/s1.
What are the key properties of (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one?
(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one has a molecular weight of 385.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one is sourced from PubChem (CID 26414005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).