N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

• ChemBase ID: 377620
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: C(=O)(C1(COC)CCC1)NC(CCn1cncc1)c1ccccc1
• Canonical SMILES: COCC1(CCC1)C(=O)NC(c1ccccc1)CCn1cncc1
• InChI: InChI=1S/C19H25N3O2/c1-24-14-19(9-5-10-19)18(23)21-17(16-6-3-2-4-7-16)8-12-22-13-11-20-15-22/h2-4,6-7,11,13,15,17H,5,8-10,12,14H2,1H3,(H,21,23)
• InChIKey: ZENVBRBVSNPJNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
• IUPAC Traditional name: N-[3-(imidazol-1-yl)-1-phenylpropyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
• Synonyms: N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-1-(methoxymethyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.383727
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5544316
• LogD (pH = 7.4): 2.0186057
• Log P: 2.087249
• Molar Refractivity: 93.4784 cm^3
• Polarizability: 36.319515 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.4
• LOG S: -2.78
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 8