N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide

C16H19N3O2 — CID 110688871

IUPACN-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2c(C)ccc2C)cc1
InChIInChI=1S/C16H19N3O2/c1-11-4-5-12(2)19(11)10-16(21)18-15-8-6-14(7-9-15)17-13(3)20/h4-9H,10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyTUBKQNODQVCTTH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.70
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide

N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide (PubChem CID 110688871) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
PubChem CID110688871
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2c(C)ccc2C)cc1
InChIInChI=1S/C16H19N3O2/c1-11-4-5-12(2)19(11)10-16(21)18-15-8-6-14(7-9-15)17-13(3)20/h4-9H,10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyTUBKQNODQVCTTH-UHFFFAOYSA-N
XLogP2.70
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794875
N-(3,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688906
N-(4-chlorophenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108795047
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 75366166
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358506
3-(4-acetamidoanilino)-3-oxopropanoic acid
CID 55049633
N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide (CID 110688871) is N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2c(C)ccc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide?
The InChIKey is TUBKQNODQVCTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-4-5-12(2)19(11)10-16(21)18-15-8-6-14(7-9-15)17-13(3)20/h4-9H,10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide?
N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide is sourced from PubChem (CID 110688871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).