N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide

C16H27N3O — CID 110203803

IUPACN-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ncc(C)n1C1CCCCCCC1
InChIInChI=1S/C16H27N3O/c1-13-12-18-16(10-11-17-14(2)20)19(13)15-8-6-4-3-5-7-9-15/h12,15H,3-11H2,1-2H3,(H,17,20)
InChIKeyXUFLUTQDWGUGMO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.16
Rot. Bonds4

About N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide

N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide (PubChem CID 110203803) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide
PubChem CID110203803
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ncc(C)n1C1CCCCCCC1
InChIInChI=1S/C16H27N3O/c1-13-12-18-16(10-11-17-14(2)20)19(13)15-8-6-4-3-5-7-9-15/h12,15H,3-11H2,1-2H3,(H,17,20)
InChIKeyXUFLUTQDWGUGMO-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide (CID 110203803) is N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide is CC(=O)NCCc1ncc(C)n1C1CCCCCCC1.
What is the InChIKey of N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide?
The InChIKey is XUFLUTQDWGUGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-12-18-16(10-11-17-14(2)20)19(13)15-8-6-4-3-5-7-9-15/h12,15H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide?
N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide has a molecular weight of 277.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclooctyl-5-methylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110203803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).