N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide

C12H12N2O3 — CID 115166052

IUPACN-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide
SMILESCN(C(=O)C=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H12N2O3/c1-13(12(17)7-15)9-3-4-10-8(5-9)6-11(16)14(10)2/h3-5,7H,6H2,1-2H3
InChIKeyUNVTYVKKPLZNFT-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.37
Rot. Bonds2

About N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide

N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide (PubChem CID 115166052) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide
PubChem CID115166052
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide
SMILESCN(C(=O)C=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H12N2O3/c1-13(12(17)7-15)9-3-4-10-8(5-9)6-11(16)14(10)2/h3-5,7H,6H2,1-2H3
InChIKeyUNVTYVKKPLZNFT-UHFFFAOYSA-N
XLogP0.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide 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-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide?
The IUPAC name of N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide (CID 115166052) is N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide.
What is the SMILES notation for N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide?
The canonical SMILES for N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide is CN(C(=O)C=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide?
The InChIKey is UNVTYVKKPLZNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-13(12(17)7-15)9-3-4-10-8(5-9)6-11(16)14(10)2/h3-5,7H,6H2,1-2H3.
What are the key properties of N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide?
N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide has a molecular weight of 232.24 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoacetamide is sourced from PubChem (CID 115166052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).