N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide

C11H19N3O — CID 63811458

IUPACN-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)NCCC(C)C
InChIInChI=1S/C11H19N3O/c1-9(2)4-5-13-11(15)8-14-7-6-12-10(14)3/h6-7,9H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyRJIAHKIKYVQQIY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.35
Rot. Bonds5

About N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide

N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide (PubChem CID 63811458) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
PubChem CID63811458
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
SMILESCc1nccn1CC(=O)NCCC(C)C
InChIInChI=1S/C11H19N3O/c1-9(2)4-5-13-11(15)8-14-7-6-12-10(14)3/h6-7,9H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyRJIAHKIKYVQQIY-UHFFFAOYSA-N
XLogP1.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide
CID 44626128
3-methyl-1-(2-methylimidazol-1-yl)butan-2-one
CID 79395102
N-cyclopropyl-2-(2-methylimidazol-1-yl)acetamide
CID 60731702
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
N-(3-methylbutyl)-2-pyrrol-1-ylacetamide
CID 63809996
2-(2-methylimidazol-1-yl)acetic acid;zinc
CID 175370537
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 66341596
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 90533937
methyl 2-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 65172997
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide (CID 63811458) is N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide is Cc1nccn1CC(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide?
The InChIKey is RJIAHKIKYVQQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)4-5-13-11(15)8-14-7-6-12-10(14)3/h6-7,9H,4-5,8H2,1-3H3,(H,13,15).
What are the key properties of N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide?
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 63811458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).