4-cyclobutaneamido-N-methyl-N-(3-phenylpropyl)benzamide

• ChemBase ID: 649326
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: C(=O)(c1ccc(NC(=O)C2CCC2)cc1)N(CCCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)NC(=O)C1CCC1)CCCc1ccccc1
• InChI: InChI=1S/C22H26N2O2/c1-24(16-6-9-17-7-3-2-4-8-17)22(26)19-12-14-20(15-13-19)23-21(25)18-10-5-11-18/h2-4,7-8,12-15,18H,5-6,9-11,16H2,1H3,(H,23,25)
• InChIKey: GTGVUFUVGKRERG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutaneamido-N-methyl-N-(3-phenylpropyl)benzamide
• IUPAC Traditional name: 4-cyclobutaneamido-N-methyl-N-(3-phenylpropyl)benzamide
• Synonyms: 4-[(cyclobutylcarbonyl)amino]-N-methyl-N-(3-phenylpropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.458296
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.191016
• LogD (pH = 7.4): 4.191016
• Log P: 4.1910167
• Molar Refractivity: 105.7616 cm^3
• Polarizability: 39.798573 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.48
• LOG S: -4.73
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7