2-methoxy-N-{3-[1-(methoxymethyl)cyclobutaneamido]phenyl}benzamide

• ChemBase ID: 778277
• Molecular Formular: C21H24N2O4
• Molecular Mass: 368.42626
• Monoisotopic Mass: 368.17360726
• SMILES: C(=O)(c1c(OC)cccc1)Nc1cc(NC(=O)C2(COC)CCC2)ccc1
• Canonical SMILES: COCC1(CCC1)C(=O)Nc1cccc(c1)NC(=O)c1ccccc1OC
• InChI: InChI=1S/C21H24N2O4/c1-26-14-21(11-6-12-21)20(25)23-16-8-5-7-15(13-16)22-19(24)17-9-3-4-10-18(17)27-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,24)(H,23,25)
• InChIKey: GYEJETBZYADOJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-{3-[1-(methoxymethyl)cyclobutaneamido]phenyl}benzamide
• IUPAC Traditional name: 2-methoxy-N-{3-[1-(methoxymethyl)cyclobutaneamido]phenyl}benzamide
• Synonyms: 2-methoxy-N-[3-({[1-(methoxymethyl)cyclobutyl]carbonyl}amino)phenyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.963918
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.2879043
• LogD (pH = 7.4): 3.287903
• Log P: 3.2879043
• Molar Refractivity: 105.9448 cm^3
• Polarizability: 39.51051 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.69
• LOG S: -4.18
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7