N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide

C15H18N2O — CID 112520811

IUPACN-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2c[nH]c(C)c2)c1
InChIInChI=1S/C15H18N2O/c1-10-4-5-11(2)14(6-10)17-15(18)8-13-7-12(3)16-9-13/h4-7,9,16H,8H2,1-3H3,(H,17,18)
InChIKeyAAPBAQHVWJCWDO-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.12
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide

N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide (PubChem CID 112520811) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
PubChem CID112520811
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2c[nH]c(C)c2)c1
InChIInChI=1S/C15H18N2O/c1-10-4-5-11(2)14(6-10)17-15(18)8-13-7-12(3)16-9-13/h4-7,9,16H,8H2,1-3H3,(H,17,18)
InChIKeyAAPBAQHVWJCWDO-UHFFFAOYSA-N
XLogP3.12
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020877
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759288
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide (CID 112520811) is N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide is Cc1ccc(C)c(NC(=O)Cc2c[nH]c(C)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is AAPBAQHVWJCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-4-5-11(2)14(6-10)17-15(18)8-13-7-12(3)16-9-13/h4-7,9,16H,8H2,1-3H3,(H,17,18).
What are the key properties of N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 242.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 112520811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).