3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one

C24H23NO4 — CID 2956238

IUPAC3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
SMILESCc1coc(C)c1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C24H23NO4/c1-16-15-29-17(2)22(16)21(26)14-24(28)19-10-6-7-11-20(19)25(23(24)27)13-12-18-8-4-3-5-9-18/h3-11,15,28H,12-14H2,1-2H3
InChIKeyXGRYBDRIDFKQKK-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.95
Rot. Bonds6

About 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one

3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one (PubChem CID 2956238) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
PubChem CID2956238
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
SMILESCc1coc(C)c1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C24H23NO4/c1-16-15-29-17(2)22(16)21(26)14-24(28)19-10-6-7-11-20(19)25(23(24)27)13-12-18-8-4-3-5-9-18/h3-11,15,28H,12-14H2,1-2H3
InChIKeyXGRYBDRIDFKQKK-UHFFFAOYSA-N
XLogP3.95
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The IUPAC name of 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one (CID 2956238) is 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one is Cc1coc(C)c1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21.
What is the InChIKey of 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The InChIKey is XGRYBDRIDFKQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-15-29-17(2)22(16)21(26)14-24(28)19-10-6-7-11-20(19)25(23(24)27)13-12-18-8-4-3-5-9-18/h3-11,15,28H,12-14H2,1-2H3.
What are the key properties of 3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one has a molecular weight of 389.45 g/mol, XLogP of 3.95, 6 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]-3-hydroxy-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 2956238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).