N-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)spiro[2.2]pentane-1-carboxamide

• ChemBase ID: 844777
• Molecular Formular: C20H22N2O2
• Molecular Mass: 322.40088
• Monoisotopic Mass: 322.16812795
• SMILES: C12(C(C(=O)N(Cc3c(OC)cccc3)Cc3ccncc3)C1)CC2
• Canonical SMILES: COc1ccccc1CN(C(=O)C1CC21CC2)Cc1ccncc1
• InChI: InChI=1S/C20H22N2O2/c1-24-18-5-3-2-4-16(18)14-22(13-15-6-10-21-11-7-15)19(23)17-12-20(17)8-9-20/h2-7,10-11,17H,8-9,12-14H2,1H3
• InChIKey: UCAYYLKZHLTMBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)spiro[2.2]pentane-1-carboxamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)spiro[2.2]pentane-1-carboxamide
• Synonyms: N-(2-methoxybenzyl)-N-(pyridin-4-ylmethyl)spiro[2.2]pentane-1-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2842023
• LogD (pH = 7.4): 2.3921833
• Log P: 2.393803
• Molar Refractivity: 92.4115 cm^3
• Polarizability: 36.018024 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.93
• LOG S: -1.9
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6