2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one

C18H20N2O2 — CID 5121880

IUPAC2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
SMILESCCN(CC)N1C(=O)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-3-19(4-2)20-17(21)15-12-8-9-13-16(15)18(20,22)14-10-6-5-7-11-14/h5-13,22H,3-4H2,1-2H3
InChIKeyQXVVAJHVAPZOCR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.59
Rot. Bonds4

About 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one

2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one (PubChem CID 5121880) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one.

Molecular Properties

Compound Name2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
PubChem CID5121880
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
SMILESCCN(CC)N1C(=O)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-3-19(4-2)20-17(21)15-12-8-9-13-16(15)18(20,22)14-10-6-5-7-11-14/h5-13,22H,3-4H2,1-2H3
InChIKeyQXVVAJHVAPZOCR-UHFFFAOYSA-N
XLogP2.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-Hydroxy-3-benzyl-2-prop-2-enylisoindolin-1-one
CID 2957302
2-Cyclopropyl-3-hydroxy-3-phenyl-1-isoindolinone
CID 2971914
2-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
CID 3240743
3-Benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindolin-1-one
CID 623769
2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-isoindol-1-one
CID 650824
3-Benzyl-2-cyclohexyl-3-hydroxy-1-isoindolinone
CID 2955856
2-[2-(2-Fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one
CID 3237528
3-Hydroxy-3-phenyl-2-(2-phenylethyl)-1-isoindolinone
CID 2974992
2-Benzyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
CID 744607
2-Cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
CID 783733
Isoindolinone scaffold, 53
CID 16090405
12b-Hydroxy-3-methyl-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
CID 56641534

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one?
The IUPAC name of 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one (CID 5121880) is 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one.
What is the SMILES notation for 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one?
The canonical SMILES for 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one is CCN(CC)N1C(=O)c2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one?
The InChIKey is QXVVAJHVAPZOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-19(4-2)20-17(21)15-12-8-9-13-16(15)18(20,22)14-10-6-5-7-11-14/h5-13,22H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one?
2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one has a molecular weight of 296.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one is sourced from PubChem (CID 5121880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).