3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one

C22H19NO4 — CID 3798162

IUPAC3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccco1
InChIInChI=1S/C22H19NO4/c24-19(20-11-6-14-27-20)15-22(26)17-9-4-5-10-18(17)23(21(22)25)13-12-16-7-2-1-3-8-16/h1-11,14,26H,12-13,15H2
InChIKeyWUFBWMAXHHZRJV-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.33
Rot. Bonds6

About 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one

3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one (PubChem CID 3798162) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
PubChem CID3798162
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccco1
InChIInChI=1S/C22H19NO4/c24-19(20-11-6-14-27-20)15-22(26)17-9-4-5-10-18(17)23(21(22)25)13-12-16-7-2-1-3-8-16/h1-11,14,26H,12-13,15H2
InChIKeyWUFBWMAXHHZRJV-UHFFFAOYSA-N
XLogP3.33
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one (CID 3798162) is 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one is O=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
The InChIKey is WUFBWMAXHHZRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-19(20-11-6-14-27-20)15-22(26)17-9-4-5-10-18(17)23(21(22)25)13-12-16-7-2-1-3-8-16/h1-11,14,26H,12-13,15H2.
What are the key properties of 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one?
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one has a molecular weight of 361.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 3798162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).