2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide

C16H22N4O — CID 79973090

IUPAC2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCNCCc1cn(CC(=O)Nc2ccccc2C)cn1
InChIInChI=1S/C16H22N4O/c1-3-17-9-8-14-10-20(12-18-14)11-16(21)19-15-7-5-4-6-13(15)2/h4-7,10,12,17H,3,8-9,11H2,1-2H3,(H,19,21)
InChIKeySDYSMZJFHJEBOY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.98
Rot. Bonds7

About 2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide

2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 79973090) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID79973090
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCNCCc1cn(CC(=O)Nc2ccccc2C)cn1
InChIInChI=1S/C16H22N4O/c1-3-17-9-8-14-10-20(12-18-14)11-16(21)19-15-7-5-4-6-13(15)2/h4-7,10,12,17H,3,8-9,11H2,1-2H3,(H,19,21)
InChIKeySDYSMZJFHJEBOY-UHFFFAOYSA-N
XLogP1.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
CID 79985501
1-[2-(2-methylanilino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717030
N-(2-fluorophenyl)-2-[4-(methylaminomethyl)imidazol-1-yl]acetamide
CID 106718340
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79109003
2-[1-[2-(2-methylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461798
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949659
2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79098210
2-(3-methylindazol-1-yl)-N-(2-methylphenyl)acetamide
CID 20886113
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]imidazol-1-yl]-N-(2-methylphenyl)acetamide
CID 53178126
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
2-(2-ethylimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 63811305
2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylphenyl)acetamide
CID 115745516

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide (CID 79973090) is 2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide is CCNCCc1cn(CC(=O)Nc2ccccc2C)cn1.
What is the InChIKey of 2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is SDYSMZJFHJEBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-17-9-8-14-10-20(12-18-14)11-16(21)19-15-7-5-4-6-13(15)2/h4-7,10,12,17H,3,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 79973090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).