6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one

C22H24N2O3 — CID 156596218

IUPAC6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one
SMILESCCN1Cc2c(C(C)C)cc(C(=O)N3Cc4ccccc4C3)c(O)c2C1=O
InChIInChI=1S/C22H24N2O3/c1-4-23-12-18-16(13(2)3)9-17(20(25)19(18)22(23)27)21(26)24-10-14-7-5-6-8-15(14)11-24/h5-9,13,25H,4,10-12H2,1-3H3
InChIKeyLESISERSYJYVPL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.65
Rot. Bonds3

About 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one

6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one (PubChem CID 156596218) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one
PubChem CID156596218
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one
SMILESCCN1Cc2c(C(C)C)cc(C(=O)N3Cc4ccccc4C3)c(O)c2C1=O
InChIInChI=1S/C22H24N2O3/c1-4-23-12-18-16(13(2)3)9-17(20(25)19(18)22(23)27)21(26)24-10-14-7-5-6-8-15(14)11-24/h5-9,13,25H,4,10-12H2,1-3H3
InChIKeyLESISERSYJYVPL-UHFFFAOYSA-N
XLogP3.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-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

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one (CID 156596218) is 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one is CCN1Cc2c(C(C)C)cc(C(=O)N3Cc4ccccc4C3)c(O)c2C1=O.
What is the InChIKey of 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one?
The InChIKey is LESISERSYJYVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-23-12-18-16(13(2)3)9-17(20(25)19(18)22(23)27)21(26)24-10-14-7-5-6-8-15(14)11-24/h5-9,13,25H,4,10-12H2,1-3H3.
What are the key properties of 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one?
6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one has a molecular weight of 364.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 156596218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).