2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide

C10H16N4O2 — CID 60968491

IUPAC2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ncc[nH]1)C(C)C
InChIInChI=1S/C10H16N4O2/c1-6(2)8(13-7(3)15)9(16)14-10-11-4-5-12-10/h4-6,8H,1-3H3,(H,13,15)(H2,11,12,14,16)
InChIKeyCHLGLDGPRBFXNM-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.51
Rot. Bonds4

About 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide

2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide (PubChem CID 60968491) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide
PubChem CID60968491
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ncc[nH]1)C(C)C
InChIInChI=1S/C10H16N4O2/c1-6(2)8(13-7(3)15)9(16)14-10-11-4-5-12-10/h4-6,8H,1-3H3,(H,13,15)(H2,11,12,14,16)
InChIKeyCHLGLDGPRBFXNM-UHFFFAOYSA-N
XLogP0.51
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide (CID 60968491) is 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide is CC(=O)NC(C(=O)Nc1ncc[nH]1)C(C)C.
What is the InChIKey of 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide?
The InChIKey is CHLGLDGPRBFXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)8(13-7(3)15)9(16)14-10-11-4-5-12-10/h4-6,8H,1-3H3,(H,13,15)(H2,11,12,14,16).
What are the key properties of 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide?
2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide has a molecular weight of 224.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 60968491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).