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

C12H19N3O — CID 110203796

IUPACN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ncc(C)n1C1CCC1
InChIInChI=1S/C12H19N3O/c1-9-8-14-12(6-7-13-10(2)16)15(9)11-4-3-5-11/h8,11H,3-7H2,1-2H3,(H,13,16)
InChIKeyJKSTYGGKTRBUKW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.60
Rot. Bonds4

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

N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide (PubChem CID 110203796) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide
PubChem CID110203796
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ncc(C)n1C1CCC1
InChIInChI=1S/C12H19N3O/c1-9-8-14-12(6-7-13-10(2)16)15(9)11-4-3-5-11/h8,11H,3-7H2,1-2H3,(H,13,16)
InChIKeyJKSTYGGKTRBUKW-UHFFFAOYSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide (CID 110203796) is N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide is CC(=O)NCCc1ncc(C)n1C1CCC1.
What is the InChIKey of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide?
The InChIKey is JKSTYGGKTRBUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-8-14-12(6-7-13-10(2)16)15(9)11-4-3-5-11/h8,11H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide?
N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110203796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).