N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide

C15H19N3O2 — CID 51102465

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCc1nccn1C
InChIInChI=1S/C15H19N3O2/c1-12-5-3-4-6-13(12)20-11-15(19)17-8-7-14-16-9-10-18(14)2/h3-6,9-10H,7-8,11H2,1-2H3,(H,17,19)
InChIKeyMHDACTAKFZNOGJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.47
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide

N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 51102465) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
PubChem CID51102465
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCc1nccn1C
InChIInChI=1S/C15H19N3O2/c1-12-5-3-4-6-13(12)20-11-15(19)17-8-7-14-16-9-10-18(14)2/h3-6,9-10H,7-8,11H2,1-2H3,(H,17,19)
InChIKeyMHDACTAKFZNOGJ-UHFFFAOYSA-N
XLogP1.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63295676
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2-(2-methylphenoxy)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718457
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 90588586
2-(2-methylphenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722802
N-[2-(2-hydroxyethoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 60654502
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 51273501
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide
CID 19331958
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide (CID 51102465) is N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCCc1nccn1C.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is MHDACTAKFZNOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-5-3-4-6-13(12)20-11-15(19)17-8-7-14-16-9-10-18(14)2/h3-6,9-10H,7-8,11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide?
N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 51102465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).