N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide

C22H22N2O2 — CID 53124086

IUPACN-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
SMILESCc1ccc(Cn2cccc2C(=O)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C22H22N2O2/c1-15-9-11-18(12-10-15)14-24-13-5-8-19(24)21(25)22(26)23-20-16(2)6-4-7-17(20)3/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyDRZKGXLUSPJRNI-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.28
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide

N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide (PubChem CID 53124086) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
PubChem CID53124086
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
SMILESCc1ccc(Cn2cccc2C(=O)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C22H22N2O2/c1-15-9-11-18(12-10-15)14-24-13-5-8-19(24)21(25)22(26)23-20-16(2)6-4-7-17(20)3/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyDRZKGXLUSPJRNI-UHFFFAOYSA-N
XLogP4.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.28
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 N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide (CID 53124086) is N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide is Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
The InChIKey is DRZKGXLUSPJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-9-11-18(12-10-15)14-24-13-5-8-19(24)21(25)22(26)23-20-16(2)6-4-7-17(20)3/h4-13H,14H2,1-3H3,(H,23,26).
What are the key properties of N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide?
N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide has a molecular weight of 346.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide is sourced from PubChem (CID 53124086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).