N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide

C12H16N2O2 — CID 83209148

IUPACN-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide
SMILESCNC(=O)CCn1cc2c(c1)C(=O)CCC2
InChIInChI=1S/C12H16N2O2/c1-13-12(16)5-6-14-7-9-3-2-4-11(15)10(9)8-14/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyXXNOJKHLDPIKCG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.14
Rot. Bonds3

About N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide

N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide (PubChem CID 83209148) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide
PubChem CID83209148
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide
SMILESCNC(=O)CCn1cc2c(c1)C(=O)CCC2
InChIInChI=1S/C12H16N2O2/c1-13-12(16)5-6-14-7-9-3-2-4-11(15)10(9)8-14/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyXXNOJKHLDPIKCG-UHFFFAOYSA-N
XLogP1.14
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide 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-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide?
The IUPAC name of N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide (CID 83209148) is N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide.
What is the SMILES notation for N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide?
The canonical SMILES for N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide is CNC(=O)CCn1cc2c(c1)C(=O)CCC2.
What is the InChIKey of N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide?
The InChIKey is XXNOJKHLDPIKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-12(16)5-6-14-7-9-3-2-4-11(15)10(9)8-14/h7-8H,2-6H2,1H3,(H,13,16).
What are the key properties of N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide?
N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide has a molecular weight of 220.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide is sourced from PubChem (CID 83209148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).