2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide

C13H15N3O2 — CID 45485638

IUPAC2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cn(C)cn2)cc1
InChIInChI=1S/C13H15N3O2/c1-16-8-12(14-9-16)15-13(17)7-10-3-5-11(18-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,17)
InChIKeyPZHSTHWKRNBXRA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.61
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide

2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide (PubChem CID 45485638) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide
PubChem CID45485638
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cn(C)cn2)cc1
InChIInChI=1S/C13H15N3O2/c1-16-8-12(14-9-16)15-13(17)7-10-3-5-11(18-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,17)
InChIKeyPZHSTHWKRNBXRA-UHFFFAOYSA-N
XLogP1.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[[2-(4-methoxyphenyl)acetyl]amino]imidazol-1-yl]cyclobutane-1-carboxylate
CID 45485561
2-bromo-N-(1-methylimidazol-4-yl)acetamide
CID 170992241
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 3596684
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040242
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113038853
2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
CID 113039555
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 110605088

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide (CID 45485638) is 2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide is COc1ccc(CC(=O)Nc2cn(C)cn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide?
The InChIKey is PZHSTHWKRNBXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-8-12(14-9-16)15-13(17)7-10-3-5-11(18-2)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide?
2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide is sourced from PubChem (CID 45485638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).