2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide

C16H21N3O2 — CID 91792347

IUPAC2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NC(C)c2ncc(C)[nH]2)cc1
InChIInChI=1S/C16H21N3O2/c1-4-21-14-7-5-13(6-8-14)9-15(20)19-12(3)16-17-10-11(2)18-16/h5-8,10,12H,4,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyNEOKCAKKKHXQHW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide

2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide (PubChem CID 91792347) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
PubChem CID91792347
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NC(C)c2ncc(C)[nH]2)cc1
InChIInChI=1S/C16H21N3O2/c1-4-21-14-7-5-13(6-8-14)9-15(20)19-12(3)16-17-10-11(2)18-16/h5-8,10,12H,4,9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyNEOKCAKKKHXQHW-UHFFFAOYSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-(4-ethoxyphenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884327
(2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172923
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750718
2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 95772905
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
CID 71820840
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55893493
(2R)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 122560884

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide (CID 91792347) is 2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide is CCOc1ccc(CC(=O)NC(C)c2ncc(C)[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide?
The InChIKey is NEOKCAKKKHXQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-21-14-7-5-13(6-8-14)9-15(20)19-12(3)16-17-10-11(2)18-16/h5-8,10,12H,4,9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 91792347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).