N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide

C22H24N2O2 — CID 6621987

IUPACN-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C22H24N2O2/c25-21(23-14-16-8-3-1-4-9-16)19-13-7-10-17-15-24(22(26)20(17)19)18-11-5-2-6-12-18/h1,3-4,7-10,13,18H,2,5-6,11-12,14-15H2,(H,23,25)
InChIKeyRQNZIXVURPYQST-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.91
Rot. Bonds4

About N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide

N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 6621987) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
PubChem CID6621987
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc2c1C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C22H24N2O2/c25-21(23-14-16-8-3-1-4-9-16)19-13-7-10-17-15-24(22(26)20(17)19)18-11-5-2-6-12-18/h1,3-4,7-10,13,18H,2,5-6,11-12,14-15H2,(H,23,25)
InChIKeyRQNZIXVURPYQST-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide 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 N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide (CID 6621987) is N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is O=C(NCc1ccccc1)c1cccc2c1C(=O)N(C1CCCCC1)C2.
What is the InChIKey of N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is RQNZIXVURPYQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(23-14-16-8-3-1-4-9-16)19-13-7-10-17-15-24(22(26)20(17)19)18-11-5-2-6-12-18/h1,3-4,7-10,13,18H,2,5-6,11-12,14-15H2,(H,23,25).
What are the key properties of N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide?
N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclohexyl-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 6621987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).