2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide

C20H20N2O2 — CID 113207737

IUPAC2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C(=O)c2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C20H20N2O2/c1-12-9-13(2)18(14(3)10-12)21-20(24)19(23)16-11-22(4)17-8-6-5-7-15(16)17/h5-11H,1-4H3,(H,21,24)
InChIKeyQKYZTZWRXFCJFW-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.92
Rot. Bonds3

About 2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide

2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 113207737) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID113207737
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C(=O)c2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C20H20N2O2/c1-12-9-13(2)18(14(3)10-12)21-20(24)19(23)16-11-22(4)17-8-6-5-7-15(16)17/h5-11H,1-4H3,(H,21,24)
InChIKeyQKYZTZWRXFCJFW-UHFFFAOYSA-N
XLogP3.92
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.92
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)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide (CID 113207737) is 2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)C(=O)c2cn(C)c3ccccc23)c(C)c1.
What is the InChIKey of 2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is QKYZTZWRXFCJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-9-13(2)18(14(3)10-12)21-20(24)19(23)16-11-22(4)17-8-6-5-7-15(16)17/h5-11H,1-4H3,(H,21,24).
What are the key properties of 2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
2-(1-methylindol-3-yl)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.92, 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)-2-oxo-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 113207737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).