3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one

C23H21NO4 — CID 3486846

IUPAC3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccccc32)o1
InChIInChI=1S/C23H21NO4/c1-16-11-12-21(28-16)20(25)15-23(27)18-9-5-6-10-19(18)24(22(23)26)14-13-17-7-3-2-4-8-17/h2-12,27H,13-15H2,1H3
InChIKeyHMHUBWLCRHZGRG-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.64
Rot. Bonds6

About 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one

3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (PubChem CID 3486846) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
PubChem CID3486846
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccccc32)o1
InChIInChI=1S/C23H21NO4/c1-16-11-12-21(28-16)20(25)15-23(27)18-9-5-6-10-19(18)24(22(23)26)14-13-17-7-3-2-4-8-17/h2-12,27H,13-15H2,1H3
InChIKeyHMHUBWLCRHZGRG-UHFFFAOYSA-N
XLogP3.64
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162524
(3R)-3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 1162526
3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 2910365
3-hydroxy-3-[2-oxo-2-(4-pentylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 163207336
3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one
CID 5182435
3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 2908541
(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-(2-phenylethyl)indol-2-one
CID 7280973
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2915280
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2909994
(3S)-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 1162536
3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)indol-2-one
CID 2908247
3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1-(2-phenylethyl)indol-2-one
CID 2928474

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (CID 3486846) is 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is Cc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccccc32)o1.
What is the InChIKey of 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The InChIKey is HMHUBWLCRHZGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-16-11-12-21(28-16)20(25)15-23(27)18-9-5-6-10-19(18)24(22(23)26)14-13-17-7-3-2-4-8-17/h2-12,27H,13-15H2,1H3.
What are the key properties of 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one has a molecular weight of 375.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 3486846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).