2-acetamido-N,4-dimethylpentanamide

C9H18N2O2 — CID 4691503

IUPAC2-acetamido-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(C)=O
InChIInChI=1S/C9H18N2O2/c1-6(2)5-8(9(13)10-4)11-7(3)12/h6,8H,5H2,1-4H3,(H,10,13)(H,11,12)
InChIKeyGFQFFCFJVLJXRY-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.28
Rot. Bonds4

About 2-acetamido-N,4-dimethylpentanamide

2-acetamido-N,4-dimethylpentanamide (PubChem CID 4691503) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-acetamido-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-acetamido-N,4-dimethylpentanamide
PubChem CID4691503
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-acetamido-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(C)=O
InChIInChI=1S/C9H18N2O2/c1-6(2)5-8(9(13)10-4)11-7(3)12/h6,8H,5H2,1-4H3,(H,10,13)(H,11,12)
InChIKeyGFQFFCFJVLJXRY-UHFFFAOYSA-N
XLogP0.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-acetamido-N,4-dimethylpentanamide 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,4-dimethylpentanamide?
The IUPAC name of 2-acetamido-N,4-dimethylpentanamide (CID 4691503) is 2-acetamido-N,4-dimethylpentanamide.
What is the SMILES notation for 2-acetamido-N,4-dimethylpentanamide?
The canonical SMILES for 2-acetamido-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(C)=O.
What is the InChIKey of 2-acetamido-N,4-dimethylpentanamide?
The InChIKey is GFQFFCFJVLJXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)5-8(9(13)10-4)11-7(3)12/h6,8H,5H2,1-4H3,(H,10,13)(H,11,12).
What are the key properties of 2-acetamido-N,4-dimethylpentanamide?
2-acetamido-N,4-dimethylpentanamide has a molecular weight of 186.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,4-dimethylpentanamide is sourced from PubChem (CID 4691503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).