2,2-dimethyl-N-[2-(trimethylstannyl)phenyl]propanamide

• ChemBase ID: 179263
• Molecular Formular: C14H23NOSn
• Molecular Mass: 340.03952
• Monoisotopic Mass: 341.08015836
• SMILES: c1cccc(c1NC(=O)C(C)(C)C)[Sn](C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)Nc1ccccc1[Sn](C)(C)C
• InChI: InChI=1S/C11H14NO.3CH3.Sn/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;;;;/h4-7H,1-3H3,(H,12,13);3*1H3
• InChIKey: NTZBAVMPZDTASG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-[2-(trimethylstannyl)phenyl]propanamide
• IUPAC Traditional name: 2,2-dimethyl-N-[2-(trimethylstannyl)phenyl]propanamide
• Synonyms: 2-Trimethylstannyl Pivaloylaminobenzene; 2-Trimethylstannyl N-Phenylpivalamide; 2-Trimethylstannyl N-Phenyltrimethylacetamide; 2-Trimethylstannyl N-Pivaloylaniline

Database IDs

• PubChem SID: 164235173
• PubChem CID: 71752842

CALCULATED PROPERTIES

• Acid pKa: 14.445753
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0124
• LogD (pH = 7.4): 3.0124
• Log P: 3.0124
• Molar Refractivity: 70.687 cm^3
• Polarizability: 31.639015 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White Solid