2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide

C24H28N2O2 — CID 15990938

IUPAC2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc1
InChIInChI=1S/C24H28N2O2/c1-16(2)17-11-13-19(14-12-17)25-23(27)21-10-6-7-18-15-26(24(28)22(18)21)20-8-4-3-5-9-20/h6-7,10-14,16,20H,3-5,8-9,15H2,1-2H3,(H,25,27)
InChIKeyGMVAOWHLAZNQRX-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.35
Rot. Bonds4

About 2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide

2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide (PubChem CID 15990938) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide
PubChem CID15990938
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc1
InChIInChI=1S/C24H28N2O2/c1-16(2)17-11-13-19(14-12-17)25-23(27)21-10-6-7-18-15-26(24(28)22(18)21)20-8-4-3-5-9-20/h6-7,10-14,16,20H,3-5,8-9,15H2,1-2H3,(H,25,27)
InChIKeyGMVAOWHLAZNQRX-UHFFFAOYSA-N
XLogP5.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.35
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-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide (CID 15990938) is 2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide is CC(C)c1ccc(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc1.
What is the InChIKey of 2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide?
The InChIKey is GMVAOWHLAZNQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-16(2)17-11-13-19(14-12-17)25-23(27)21-10-6-7-18-15-26(24(28)22(18)21)20-8-4-3-5-9-20/h6-7,10-14,16,20H,3-5,8-9,15H2,1-2H3,(H,25,27).
What are the key properties of 2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide?
2-cyclohexyl-3-oxo-N-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.35, 4 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-(4-propan-2-ylphenyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 15990938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).