3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide

C15H20N2O2 — CID 68771820

IUPAC3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide
SMILESCCCNC(=O)C1c2ccccc2C(=O)N1CCC
InChIInChI=1S/C15H20N2O2/c1-3-9-16-14(18)13-11-7-5-6-8-12(11)15(19)17(13)10-4-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyJNDGEBNNNBQCFM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.12
Rot. Bonds5

About 3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide

3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide (PubChem CID 68771820) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide
PubChem CID68771820
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide
SMILESCCCNC(=O)C1c2ccccc2C(=O)N1CCC
InChIInChI=1S/C15H20N2O2/c1-3-9-16-14(18)13-11-7-5-6-8-12(11)15(19)17(13)10-4-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyJNDGEBNNNBQCFM-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-oxo-N,2-dipropyl-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 3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide?
The IUPAC name of 3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide (CID 68771820) is 3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide.
What is the SMILES notation for 3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide?
The canonical SMILES for 3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide is CCCNC(=O)C1c2ccccc2C(=O)N1CCC.
What is the InChIKey of 3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide?
The InChIKey is JNDGEBNNNBQCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-9-16-14(18)13-11-7-5-6-8-12(11)15(19)17(13)10-4-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide?
3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68771820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).