2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide

C18H16N2O2 — CID 2229956

IUPAC2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
SMILESCc1ccccc1NC(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C18H16N2O2/c1-12-7-3-5-9-15(12)19-18(22)17(21)14-11-20(2)16-10-6-4-8-13(14)16/h3-11H,1-2H3,(H,19,22)
InChIKeyCVLWSTFHJOLTMI-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.31
Rot. Bonds3

About 2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide

2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide (PubChem CID 2229956) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
PubChem CID2229956
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
SMILESCc1ccccc1NC(=O)C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C18H16N2O2/c1-12-7-3-5-9-15(12)19-18(22)17(21)14-11-20(2)16-10-6-4-8-13(14)16/h3-11H,1-2H3,(H,19,22)
InChIKeyCVLWSTFHJOLTMI-UHFFFAOYSA-N
XLogP3.31
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide (CID 2229956) is 2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide is Cc1ccccc1NC(=O)C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide?
The InChIKey is CVLWSTFHJOLTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-7-3-5-9-15(12)19-18(22)17(21)14-11-20(2)16-10-6-4-8-13(14)16/h3-11H,1-2H3,(H,19,22).
What are the key properties of 2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide?
2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide has a molecular weight of 292.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 2229956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).