N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]oxolane-3-carboxamide

• ChemBase ID: 509825
• Molecular Formular: C20H29NO4
• Molecular Mass: 347.44856
• Monoisotopic Mass: 347.20965841
• SMILES: C(=O)(N(Cc1cc(c(cc1)OC)OC)C1CCCCC1)C1COCC1
• Canonical SMILES: COc1cc(ccc1OC)CN(C(=O)C1COCC1)C1CCCCC1
• InChI: InChI=1S/C20H29NO4/c1-23-18-9-8-15(12-19(18)24-2)13-21(17-6-4-3-5-7-17)20(22)16-10-11-25-14-16/h8-9,12,16-17H,3-7,10-11,13-14H2,1-2H3
• InChIKey: XOIPOTLVUFEGLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]oxolane-3-carboxamide
• IUPAC Traditional name: N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]oxolane-3-carboxamide
• Synonyms: N-cyclohexyl-N-(3,4-dimethoxybenzyl)tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7578092
• LogD (pH = 7.4): 2.7578094
• Log P: 2.7578094
• Molar Refractivity: 96.8082 cm^3
• Polarizability: 37.907448 Å^3
• Polar Surface Area: 48.0 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: 2.6
• LOG S: -3.95
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6