N,N-bis(2-methylpropyl)benzamide

• ChemBase ID: 110178
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: CC(C)CN(CC(C)C)C(=O)c1ccccc1
• Canonical SMILES: CC(CN(C(=O)c1ccccc1)CC(C)C)C
• InChI: InChI=1S/C15H23NO/c1-12(2)10-16(11-13(3)4)15(17)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
• InChIKey: JYTNUJXHOWUHHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(2-methylpropyl)benzamide
• IUPAC Traditional name: N,N-bis(2-methylpropyl)benzamide
• Synonyms: N,N-DIISOBUTYLBENZAMIDE

Database IDs

• CAS Number: 6976-02-9
• PubChem SID: 162095732
• PubChem CID: 228018

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7598364
• LogD (pH = 7.4): 3.7598445
• Log P: 3.7598445
• Molar Refractivity: 72.4182 cm^3
• Polarizability: 27.909002 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05214025

MP Biomedicals Rare Chemical collection