2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide

C24H28N2O2 — CID 24793794

IUPAC2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c(C)c1
InChIInChI=1S/C24H28N2O2/c1-15-12-16(2)22(17(3)13-15)25-23(27)20-11-7-8-18-14-26(24(28)21(18)20)19-9-5-4-6-10-19/h7-8,11-13,19H,4-6,9-10,14H2,1-3H3,(H,25,27)
InChIKeyGLZNJWSUAYYKKV-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.15
Rot. Bonds3

About 2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide

2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide (PubChem CID 24793794) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide
PubChem CID24793794
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c(C)c1
InChIInChI=1S/C24H28N2O2/c1-15-12-16(2)22(17(3)13-15)25-23(27)20-11-7-8-18-14-26(24(28)21(18)20)19-9-5-4-6-10-19/h7-8,11-13,19H,4-6,9-10,14H2,1-3H3,(H,25,27)
InChIKeyGLZNJWSUAYYKKV-UHFFFAOYSA-N
XLogP5.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide (CID 24793794) is 2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide is Cc1cc(C)c(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c(C)c1.
What is the InChIKey of 2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide?
The InChIKey is GLZNJWSUAYYKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-15-12-16(2)22(17(3)13-15)25-23(27)20-11-7-8-18-14-26(24(28)21(18)20)19-9-5-4-6-10-19/h7-8,11-13,19H,4-6,9-10,14H2,1-3H3,(H,25,27).
What are the key properties of 2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide?
2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-oxo-N-(2,4,6-trimethylphenyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24793794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).