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

C18H19NO4 — CID 2955658

IUPAC3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
SMILESCCN1C(=O)C(O)(CC(=O)c2c(C)coc2C)c2ccccc21
InChIInChI=1S/C18H19NO4/c1-4-19-14-8-6-5-7-13(14)18(22,17(19)21)9-15(20)16-11(2)10-23-12(16)3/h5-8,10,22H,4,9H2,1-3H3
InChIKeyFHPCHTWCEGAZLH-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.72
Rot. Bonds4

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

3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one (PubChem CID 2955658) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
PubChem CID2955658
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
SMILESCCN1C(=O)C(O)(CC(=O)c2c(C)coc2C)c2ccccc21
InChIInChI=1S/C18H19NO4/c1-4-19-14-8-6-5-7-13(14)18(22,17(19)21)9-15(20)16-11(2)10-23-12(16)3/h5-8,10,22H,4,9H2,1-3H3
InChIKeyFHPCHTWCEGAZLH-UHFFFAOYSA-N
XLogP2.72
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.72
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
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
1-Butyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2992754
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 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The IUPAC name of 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one (CID 2955658) is 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one.
What is the SMILES notation for 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The canonical SMILES for 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one is CCN1C(=O)C(O)(CC(=O)c2c(C)coc2C)c2ccccc21.
What is the InChIKey of 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The InChIKey is FHPCHTWCEGAZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-4-19-14-8-6-5-7-13(14)18(22,17(19)21)9-15(20)16-11(2)10-23-12(16)3/h5-8,10,22H,4,9H2,1-3H3.
What are the key properties of 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one has a molecular weight of 313.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one is sourced from PubChem (CID 2955658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).