N-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide

• ChemBase ID: 495218
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: N(C(=O)C1CCOCC1)(Cc1c(OC)cccc1)Cc1ccncc1
• Canonical SMILES: COc1ccccc1CN(C(=O)C1CCOCC1)Cc1ccncc1
• InChI: InChI=1S/C20H24N2O3/c1-24-19-5-3-2-4-18(19)15-22(14-16-6-10-21-11-7-16)20(23)17-8-12-25-13-9-17/h2-7,10-11,17H,8-9,12-15H2,1H3
• InChIKey: SWRYQYAQYCNBRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
• Synonyms: N-(2-methoxybenzyl)-N-(pyridin-4-ylmethyl)tetrahydro-2H-pyran-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8020717
• LogD (pH = 7.4): 1.9100525
• Log P: 1.9116721
• Molar Refractivity: 96.5415 cm^3
• Polarizability: 37.437748 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.34
• LOG S: -1.53
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6