N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide

C17H22N2O3 — CID 68771680

IUPACN-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NC1CCCCC1)C1c2ccccc2C(=O)N1CCO
InChIInChI=1S/C17H22N2O3/c20-11-10-19-15(13-8-4-5-9-14(13)17(19)22)16(21)18-12-6-2-1-3-7-12/h4-5,8-9,12,15,20H,1-3,6-7,10-11H2,(H,18,21)
InChIKeyJUZHQLJSSYZECK-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.62
Rot. Bonds4

About N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide

N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 68771680) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide
PubChem CID68771680
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NC1CCCCC1)C1c2ccccc2C(=O)N1CCO
InChIInChI=1S/C17H22N2O3/c20-11-10-19-15(13-8-4-5-9-14(13)17(19)22)16(21)18-12-6-2-1-3-7-12/h4-5,8-9,12,15,20H,1-3,6-7,10-11H2,(H,18,21)
InChIKeyJUZHQLJSSYZECK-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-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-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide (CID 68771680) is N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide is O=C(NC1CCCCC1)C1c2ccccc2C(=O)N1CCO.
What is the InChIKey of N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is JUZHQLJSSYZECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-11-10-19-15(13-8-4-5-9-14(13)17(19)22)16(21)18-12-6-2-1-3-7-12/h4-5,8-9,12,15,20H,1-3,6-7,10-11H2,(H,18,21).
What are the key properties of N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide?
N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68771680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).