N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide

C11H19N3O — CID 58592799

IUPACN-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1cnc(C(C)C)c1C
InChIInChI=1S/C11H19N3O/c1-8(2)11-9(3)14(7-13-11)6-5-12-10(4)15/h7-8H,5-6H2,1-4H3,(H,12,15)
InChIKeySLQPZNIORKDAOX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.45
Rot. Bonds4

About N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide

N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide (PubChem CID 58592799) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide
PubChem CID58592799
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide
SMILESCC(=O)NCCn1cnc(C(C)C)c1C
InChIInChI=1S/C11H19N3O/c1-8(2)11-9(3)14(7-13-11)6-5-12-10(4)15/h7-8H,5-6H2,1-4H3,(H,12,15)
InChIKeySLQPZNIORKDAOX-UHFFFAOYSA-N
XLogP1.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide (CID 58592799) is N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide is CC(=O)NCCn1cnc(C(C)C)c1C.
What is the InChIKey of N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide?
The InChIKey is SLQPZNIORKDAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)11-9(3)14(7-13-11)6-5-12-10(4)15/h7-8H,5-6H2,1-4H3,(H,12,15).
What are the key properties of N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide?
N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-4-propan-2-ylimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 58592799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).