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

C23H26N2O2 — CID 24793556

IUPAC2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C23H26N2O2/c1-15-8-6-9-16(2)21(15)24-22(26)19-13-7-10-17-14-25(23(27)20(17)19)18-11-4-3-5-12-18/h6-10,13,18H,3-5,11-12,14H2,1-2H3,(H,24,26)
InChIKeyZJCOZHNDKNNDCA-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.84
Rot. Bonds3

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

2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 24793556) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID24793556
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C23H26N2O2/c1-15-8-6-9-16(2)21(15)24-22(26)19-13-7-10-17-14-25(23(27)20(17)19)18-11-4-3-5-12-18/h6-10,13,18H,3-5,11-12,14H2,1-2H3,(H,24,26)
InChIKeyZJCOZHNDKNNDCA-UHFFFAOYSA-N
XLogP4.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide (CID 24793556) is 2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide is Cc1cccc(C)c1NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2.
What is the InChIKey of 2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is ZJCOZHNDKNNDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-8-6-9-16(2)21(15)24-22(26)19-13-7-10-17-14-25(23(27)20(17)19)18-11-4-3-5-12-18/h6-10,13,18H,3-5,11-12,14H2,1-2H3,(H,24,26).
What are the key properties of 2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide?
2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2,6-dimethylphenyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 24793556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).