2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide

C15H18N2O — CID 110773536

IUPAC2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide
SMILESCc1cc(CC(=O)N(C)c2ccccc2)c(C)[nH]1
InChIInChI=1S/C15H18N2O/c1-11-9-13(12(2)16-11)10-15(18)17(3)14-7-5-4-6-8-14/h4-9,16H,10H2,1-3H3
InChIKeyYNUCGBUVKCAKJZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.84
Rot. Bonds3

About 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide

2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide (PubChem CID 110773536) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide
PubChem CID110773536
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide
SMILESCc1cc(CC(=O)N(C)c2ccccc2)c(C)[nH]1
InChIInChI=1S/C15H18N2O/c1-11-9-13(12(2)16-11)10-15(18)17(3)14-7-5-4-6-8-14/h4-9,16H,10H2,1-3H3
InChIKeyYNUCGBUVKCAKJZ-UHFFFAOYSA-N
XLogP2.84
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
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2-(5-chloro-2-methyl-1H-indol-3-yl)-N-methyl-N-phenylacetamide
CID 113212000
N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide
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1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43794443
N-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-phenylacetamide
CID 110677412
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid
CID 104698060
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N-(4-hydroxyphenyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 28739159

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide (CID 110773536) is 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide is Cc1cc(CC(=O)N(C)c2ccccc2)c(C)[nH]1.
What is the InChIKey of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide?
The InChIKey is YNUCGBUVKCAKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-9-13(12(2)16-11)10-15(18)17(3)14-7-5-4-6-8-14/h4-9,16H,10H2,1-3H3.
What are the key properties of 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide?
2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide has a molecular weight of 242.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 110773536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).