2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one

C24H26N2O3 — CID 163382038

IUPAC2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3cccc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)ccc2C1=O
InChIInChI=1S/C24H26N2O3/c1-24(2,29)21(14-7-8-14)26-13-16-5-4-6-18(20(16)23(26)28)15-9-10-19-17(11-15)12-25(3)22(19)27/h4-6,9-11,14,21,29H,7-8,12-13H2,1-3H3/t21-/m1/s1
InChIKeyCEHOCLCXVFQUEK-OAQYLSRUSA-N
MW390.48 g/mol
LogP3.44
Rot. Bonds4

About 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one

2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one (PubChem CID 163382038) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one
PubChem CID163382038
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one
SMILESCN1Cc2cc(-c3cccc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)ccc2C1=O
InChIInChI=1S/C24H26N2O3/c1-24(2,29)21(14-7-8-14)26-13-16-5-4-6-18(20(16)23(26)28)15-9-10-19-17(11-15)12-25(3)22(19)27/h4-6,9-11,14,21,29H,7-8,12-13H2,1-3H3/t21-/m1/s1
InChIKeyCEHOCLCXVFQUEK-OAQYLSRUSA-N
XLogP3.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one?
The IUPAC name of 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one (CID 163382038) is 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one is CN1Cc2cc(-c3cccc4c3C(=O)N([C@H](C3CC3)C(C)(C)O)C4)ccc2C1=O.
What is the InChIKey of 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one?
The InChIKey is CEHOCLCXVFQUEK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-24(2,29)21(14-7-8-14)26-13-16-5-4-6-18(20(16)23(26)28)15-9-10-19-17(11-15)12-25(3)22(19)27/h4-6,9-11,14,21,29H,7-8,12-13H2,1-3H3/t21-/m1/s1.
What are the key properties of 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one?
2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one has a molecular weight of 390.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-(2-methyl-1-oxo-3H-isoindol-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 163382038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).