N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide

C16H19N3O3 — CID 84577861

IUPACN-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCn2c(C)c(C)[nH]c2=O)c1
InChIInChI=1S/C16H19N3O3/c1-10-11(2)19(16(22)17-10)8-7-15(21)18-14-6-4-5-13(9-14)12(3)20/h4-6,9H,7-8H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyYFRXLYWFRGDQCW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.02
Rot. Bonds5

About N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide

N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide (PubChem CID 84577861) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
PubChem CID84577861
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCn2c(C)c(C)[nH]c2=O)c1
InChIInChI=1S/C16H19N3O3/c1-10-11(2)19(16(22)17-10)8-7-15(21)18-14-6-4-5-13(9-14)12(3)20/h4-6,9H,7-8H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyYFRXLYWFRGDQCW-UHFFFAOYSA-N
XLogP2.02
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide (CID 84577861) is N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide is CC(=O)c1cccc(NC(=O)CCn2c(C)c(C)[nH]c2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide?
The InChIKey is YFRXLYWFRGDQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-11(2)19(16(22)17-10)8-7-15(21)18-14-6-4-5-13(9-14)12(3)20/h4-6,9H,7-8H2,1-3H3,(H,17,22)(H,18,21).
What are the key properties of N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide?
N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide has a molecular weight of 301.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide is sourced from PubChem (CID 84577861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).