1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one

C20H23NO4 — CID 2992754

IUPAC1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESCCCCN1C(=O)C(O)(CC(=O)c2c(C)coc2C)c2ccccc21
InChIInChI=1S/C20H23NO4/c1-4-5-10-21-16-9-7-6-8-15(16)20(24,19(21)23)11-17(22)18-13(2)12-25-14(18)3/h6-9,12,24H,4-5,10-11H2,1-3H3
InChIKeyTUJSIWYQTWABJQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.50
Rot. Bonds6

About 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one

1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one (PubChem CID 2992754) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
PubChem CID2992754
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESCCCCN1C(=O)C(O)(CC(=O)c2c(C)coc2C)c2ccccc21
InChIInChI=1S/C20H23NO4/c1-4-5-10-21-16-9-7-6-8-15(16)20(24,19(21)23)11-17(22)18-13(2)12-25-14(18)3/h6-9,12,24H,4-5,10-11H2,1-3H3
InChIKeyTUJSIWYQTWABJQ-UHFFFAOYSA-N
XLogP3.50
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 3481662
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
1-(4-chlorobenzyl)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2914136
1-(2-chlorobenzyl)-3-[2-(2-furyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2916185
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 3798162
ethyl {3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 2885014
3-[2-(2,5-Dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 2927534
1-benzyl-3-hydroxy-3-[2-(5-methyl-2-furyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
CID 2945500
3-[2-(2,4-Dimethyl-3-furanyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2-indolone
CID 2956238
3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 5737987
2-{3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetamide
CID 4316451

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
The IUPAC name of 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one (CID 2992754) is 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one.
What is the SMILES notation for 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
The canonical SMILES for 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one is CCCCN1C(=O)C(O)(CC(=O)c2c(C)coc2C)c2ccccc21.
What is the InChIKey of 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
The InChIKey is TUJSIWYQTWABJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-5-10-21-16-9-7-6-8-15(16)20(24,19(21)23)11-17(22)18-13(2)12-25-14(18)3/h6-9,12,24H,4-5,10-11H2,1-3H3.
What are the key properties of 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one has a molecular weight of 341.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 2992754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).