1-(methoxymethyl)-N-{1-[(3-methylphenyl)methyl]cyclopropyl}cyclobutane-1-carboxamide

• ChemBase ID: 846081
• Molecular Formular: C18H25NO2
• Molecular Mass: 287.3966
• Monoisotopic Mass: 287.18852905
• SMILES: C1(NC(=O)C2(COC)CCC2)(CC1)Cc1cc(ccc1)C
• Canonical SMILES: COCC1(CCC1)C(=O)NC1(CC1)Cc1cccc(c1)C
• InChI: InChI=1S/C18H25NO2/c1-14-5-3-6-15(11-14)12-18(9-10-18)19-16(20)17(13-21-2)7-4-8-17/h3,5-6,11H,4,7-10,12-13H2,1-2H3,(H,19,20)
• InChIKey: RXWPMRFBBCOJRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-{1-[(3-methylphenyl)methyl]cyclopropyl}cyclobutane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)-N-{1-[(3-methylphenyl)methyl]cyclopropyl}cyclobutane-1-carboxamide
• Synonyms: 1-(methoxymethyl)-N-[1-(3-methylbenzyl)cyclopropyl]cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.687193
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.252011
• LogD (pH = 7.4): 3.2520113
• Log P: 3.2520113
• Molar Refractivity: 83.8993 cm^3
• Polarizability: 32.792427 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.44
• LOG S: -3.38
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6