N-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide

• ChemBase ID: 405352
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: N(C(=O)C1CCC1)(Cc1cc(c(cc1)OC)OC)Cc1ncccc1
• Canonical SMILES: COc1cc(ccc1OC)CN(C(=O)C1CCC1)Cc1ccccn1
• InChI: InChI=1S/C20H24N2O3/c1-24-18-10-9-15(12-19(18)25-2)13-22(20(23)16-6-5-7-16)14-17-8-3-4-11-21-17/h3-4,8-12,16H,5-7,13-14H2,1-2H3
• InChIKey: FVUOJGXSSIESSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
• Synonyms: N-(3,4-dimethoxybenzyl)-N-(2-pyridinylmethyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6211596
• LogD (pH = 7.4): 2.6386044
• Log P: 2.6388319
• Molar Refractivity: 95.732 cm^3
• Polarizability: 37.423584 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.6
• LOG S: -2.97
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 5