2-methyl-N-(1-methylimidazol-4-yl)propanamide

C8H13N3O — CID 167264755

IUPAC2-methyl-N-(1-methylimidazol-4-yl)propanamide
SMILESCC(C)C(=O)Nc1cn(C)cn1
InChIInChI=1S/C8H13N3O/c1-6(2)8(12)10-7-4-11(3)5-9-7/h4-6H,1-3H3,(H,10,12)
InChIKeyLCZISZBWCZTIKM-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.01
Rot. Bonds2

About 2-methyl-N-(1-methylimidazol-4-yl)propanamide

2-methyl-N-(1-methylimidazol-4-yl)propanamide (PubChem CID 167264755) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-N-(1-methylimidazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylimidazol-4-yl)propanamide
PubChem CID167264755
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methyl-N-(1-methylimidazol-4-yl)propanamide
SMILESCC(C)C(=O)Nc1cn(C)cn1
InChIInChI=1S/C8H13N3O/c1-6(2)8(12)10-7-4-11(3)5-9-7/h4-6H,1-3H3,(H,10,12)
InChIKeyLCZISZBWCZTIKM-UHFFFAOYSA-N
XLogP1.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylimidazol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(1-methylimidazol-4-yl)propanamide (CID 167264755) is 2-methyl-N-(1-methylimidazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1-methylimidazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1-methylimidazol-4-yl)propanamide is CC(C)C(=O)Nc1cn(C)cn1.
What is the InChIKey of 2-methyl-N-(1-methylimidazol-4-yl)propanamide?
The InChIKey is LCZISZBWCZTIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)8(12)10-7-4-11(3)5-9-7/h4-6H,1-3H3,(H,10,12).
What are the key properties of 2-methyl-N-(1-methylimidazol-4-yl)propanamide?
2-methyl-N-(1-methylimidazol-4-yl)propanamide has a molecular weight of 167.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylimidazol-4-yl)propanamide is sourced from PubChem (CID 167264755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).