4-[(dipropylamino)methyl]-N-(1-methoxybutan-2-yl)benzamide

• ChemBase ID: 497359
• Molecular Formular: C19H32N2O2
• Molecular Mass: 320.46958
• Monoisotopic Mass: 320.24637827
• SMILES: C(=O)(NC(COC)CC)c1ccc(CN(CCC)CCC)cc1
• Canonical SMILES: CCCN(Cc1ccc(cc1)C(=O)NC(COC)CC)CCC
• InChI: InChI=1S/C19H32N2O2/c1-5-12-21(13-6-2)14-16-8-10-17(11-9-16)19(22)20-18(7-3)15-23-4/h8-11,18H,5-7,12-15H2,1-4H3,(H,20,22)
• InChIKey: WUNDIQMVFWHDOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(dipropylamino)methyl]-N-(1-methoxybutan-2-yl)benzamide
• IUPAC Traditional name: 4-[(dipropylamino)methyl]-N-(1-methoxybutan-2-yl)benzamide
• Synonyms: 4-[(dipropylamino)methyl]-N-[1-(methoxymethyl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.995248
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2164898
• LogD (pH = 7.4): 1.3580037
• Log P: 3.6397417
• Molar Refractivity: 97.1073 cm^3
• Polarizability: 37.47929 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.71
• LOG S: -4.71
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 11