N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide

C16H19N3O2 — CID 154756186

IUPACN-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCc2cncn2C)cc1C
InChIInChI=1S/C16H19N3O2/c1-11-8-13(4-6-15(11)12(2)20)18-16(21)7-5-14-9-17-10-19(14)3/h4,6,8-10H,5,7H2,1-3H3,(H,18,21)
InChIKeySEJJPSIQNPOZQU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.50
Rot. Bonds5

About N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide

N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide (PubChem CID 154756186) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide
PubChem CID154756186
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCc2cncn2C)cc1C
InChIInChI=1S/C16H19N3O2/c1-11-8-13(4-6-15(11)12(2)20)18-16(21)7-5-14-9-17-10-19(14)3/h4,6,8-10H,5,7H2,1-3H3,(H,18,21)
InChIKeySEJJPSIQNPOZQU-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
3-(3-methylimidazol-4-yl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 126767399
5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide
CID 154735511
N-(3-acetyl-4-methylphenyl)butanamide;ethane
CID 153353610
N-(4-acetyl-3-chlorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 75455006
N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane
CID 160894365
N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide
CID 99702239
N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700760
2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
CID 167864856
4-[3-(4-tert-butylphenyl)propanoylamino]-2-methylbenzamide
CID 56517357
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide?
The IUPAC name of N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide (CID 154756186) is N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide.
What is the SMILES notation for N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide?
The canonical SMILES for N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide is CC(=O)c1ccc(NC(=O)CCc2cncn2C)cc1C.
What is the InChIKey of N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide?
The InChIKey is SEJJPSIQNPOZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-8-13(4-6-15(11)12(2)20)18-16(21)7-5-14-9-17-10-19(14)3/h4,6,8-10H,5,7H2,1-3H3,(H,18,21).
What are the key properties of N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide?
N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-methylphenyl)-3-(3-methylimidazol-4-yl)propanamide is sourced from PubChem (CID 154756186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).