2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide

C23H24N2O2 — CID 3672749

IUPAC2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccc(C)cc2C)c1C
InChIInChI=1S/C23H24N2O2/c1-15-10-11-21(16(2)12-15)24-23(27)14-25-17(3)20(18(4)26)13-22(25)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3,(H,24,27)
InChIKeyUPFMWEXKEGWSHE-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.92
Rot. Bonds5

About 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 3672749) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID3672749
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccc(C)cc2C)c1C
InChIInChI=1S/C23H24N2O2/c1-15-10-11-21(16(2)12-15)24-23(27)14-25-17(3)20(18(4)26)13-22(25)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3,(H,24,27)
InChIKeyUPFMWEXKEGWSHE-UHFFFAOYSA-N
XLogP4.92
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide (CID 3672749) is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide is CC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccc(C)cc2C)c1C.
What is the InChIKey of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is UPFMWEXKEGWSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-15-10-11-21(16(2)12-15)24-23(27)14-25-17(3)20(18(4)26)13-22(25)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3,(H,24,27).
What are the key properties of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 3672749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).