3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide

C10H19NO — CID 114618899

IUPAC3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CC(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(2)7-11-9(12)6-10(3,4)5/h1,6-7H2,2-5H3,(H,11,12)
InChIKeyZIVBCGKSTGEQAY-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.11
Rot. Bonds3

About 3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide

3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide (PubChem CID 114618899) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide
PubChem CID114618899
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CC(C)(C)C
InChIInChI=1S/C10H19NO/c1-8(2)7-11-9(12)6-10(3,4)5/h1,6-7H2,2-5H3,(H,11,12)
InChIKeyZIVBCGKSTGEQAY-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-N-(2-methylprop-2-enyl)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 3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide (CID 114618899) is 3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide is C=C(C)CNC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide?
The InChIKey is ZIVBCGKSTGEQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)7-11-9(12)6-10(3,4)5/h1,6-7H2,2-5H3,(H,11,12).
What are the key properties of 3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide?
3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide has a molecular weight of 169.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 114618899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).