2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide

C11H22N2O2 — CID 22134168

IUPAC2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide
SMILESCC(C)CC(C=O)NC(=O)C(N)C(C)C
InChIInChI=1S/C11H22N2O2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h6-10H,5,12H2,1-4H3,(H,13,15)
InChIKeyNWPSIQXSVZAWHR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.70
Rot. Bonds6

About 2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide

2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide (PubChem CID 22134168) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide
PubChem CID22134168
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide
SMILESCC(C)CC(C=O)NC(=O)C(N)C(C)C
InChIInChI=1S/C11H22N2O2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h6-10H,5,12H2,1-4H3,(H,13,15)
InChIKeyNWPSIQXSVZAWHR-UHFFFAOYSA-N
XLogP0.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide 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-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide (CID 22134168) is 2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide is CC(C)CC(C=O)NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide?
The InChIKey is NWPSIQXSVZAWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h6-10H,5,12H2,1-4H3,(H,13,15).
What are the key properties of 2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide?
2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide is sourced from PubChem (CID 22134168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).