N,N-bis(2-methylpropyl)-3-nitrobenzamide

• ChemBase ID: 300456
• Molecular Formular: C15H22N2O3
• Molecular Mass: 278.34678
• Monoisotopic Mass: 278.16304257
• SMILES: CC(C)CN(CC(C)C)C(=O)c1cccc(c1)[N+](=O)[O-]
• Canonical SMILES: CC(CN(C(=O)c1cccc(c1)[N+](=O)[O-])CC(C)C)C
• InChI: InChI=1S/C15H22N2O3/c1-11(2)9-16(10-12(3)4)15(18)13-6-5-7-14(8-13)17(19)20/h5-8,11-12H,9-10H2,1-4H3
• InChIKey: ZBKDSVUUADGUBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(2-methylpropyl)-3-nitrobenzamide
• IUPAC Traditional name: N,N-bis(2-methylpropyl)-3-nitrobenzamide
• Synonyms: N,N-Diisobutyl-3-nitrobenzamide

Database IDs

• MDL Number: MFCD00426997

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6998286
• LogD (pH = 7.4): 3.6998289
• Log P: 3.6998289
• Molar Refractivity: 79.7429 cm^3
• Polarizability: 29.75745 Å^3
• Polar Surface Area: 66.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%