N-{[3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide

• ChemBase ID: 465895
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: N(C(=O)C1CCC1)(Cc1cc(OCC2COCC2)ccc1)Cc1ncccc1
• Canonical SMILES: O=C(N(Cc1ccccn1)Cc1cccc(c1)OCC1COCC1)C1CCC1
• InChI: InChI=1S/C23H28N2O3/c26-23(20-6-4-7-20)25(15-21-8-1-2-11-24-21)14-18-5-3-9-22(13-18)28-17-19-10-12-27-16-19/h1-3,5,8-9,11,13,19-20H,4,6-7,10,12,14-17H2
• InChIKey: LIQAYXHXGNGNDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
• IUPAC Traditional name: N-{[3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
• Synonyms: N-(2-pyridinylmethyl)-N-[3-(tetrahydro-3-furanylmethoxy)benzyl]cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7976058
• LogD (pH = 7.4): 2.8150506
• Log P: 2.815278
• Molar Refractivity: 107.8625 cm^3
• Polarizability: 42.23468 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.69
• LOG S: -3.86
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 8