N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide

C19H20N2O2 — CID 5157141

IUPACN-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(C)cc3)c2C1=O
InChIInChI=1S/C19H20N2O2/c1-3-11-21-12-14-5-4-6-16(17(14)19(21)23)18(22)20-15-9-7-13(2)8-10-15/h4-10H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyOLUSXQSXISQJDG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.61
Rot. Bonds4

About N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide

N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide (PubChem CID 5157141) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
PubChem CID5157141
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(C)cc3)c2C1=O
InChIInChI=1S/C19H20N2O2/c1-3-11-21-12-14-5-4-6-16(17(14)19(21)23)18(22)20-15-9-7-13(2)8-10-15/h4-10H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyOLUSXQSXISQJDG-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylphenyl)-3-oxo-2-propyl-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-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide (CID 5157141) is N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(=O)Nc3ccc(C)cc3)c2C1=O.
What is the InChIKey of N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The InChIKey is OLUSXQSXISQJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-11-21-12-14-5-4-6-16(17(14)19(21)23)18(22)20-15-9-7-13(2)8-10-15/h4-10H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 5157141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).