2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide

C23H24N2O2 — CID 22515412

IUPAC2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide
SMILESCc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2c(C)cccc2C)c1C
InChIInChI=1S/C23H24N2O2/c1-14-9-6-7-12-20(14)24-23(27)22(26)19-13-17(4)25(18(19)5)21-15(2)10-8-11-16(21)3/h6-13H,1-5H3,(H,24,27)
InChIKeyBAFRFKPSJOIILO-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.84
Rot. Bonds4

About 2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide

2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide (PubChem CID 22515412) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide
PubChem CID22515412
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide
SMILESCc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2c(C)cccc2C)c1C
InChIInChI=1S/C23H24N2O2/c1-14-9-6-7-12-20(14)24-23(27)22(26)19-13-17(4)25(18(19)5)21-15(2)10-8-11-16(21)3/h6-13H,1-5H3,(H,24,27)
InChIKeyBAFRFKPSJOIILO-UHFFFAOYSA-N
XLogP4.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide (CID 22515412) is 2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide is Cc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2c(C)cccc2C)c1C.
What is the InChIKey of 2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide?
The InChIKey is BAFRFKPSJOIILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-14-9-6-7-12-20(14)24-23(27)22(26)19-13-17(4)25(18(19)5)21-15(2)10-8-11-16(21)3/h6-13H,1-5H3,(H,24,27).
What are the key properties of 2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide?
2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide has a molecular weight of 360.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 22515412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).