5-(methoxymethyl)-N-(2-methylpropyl)-N-(3-phenylprop-2-yn-1-yl)furan-2-carboxamide

• ChemBase ID: 496848
• Molecular Formular: C20H23NO3
• Molecular Mass: 325.40152
• Monoisotopic Mass: 325.1677936
• SMILES: c1(C(=O)N(CC(C)C)CC#Cc2ccccc2)oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)N(CC(C)C)CC#Cc1ccccc1
• InChI: InChI=1S/C20H23NO3/c1-16(2)14-21(13-7-10-17-8-5-4-6-9-17)20(22)19-12-11-18(24-19)15-23-3/h4-6,8-9,11-12,16H,13-15H2,1-3H3
• InChIKey: MMOWWHPWNSHOKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(methoxymethyl)-N-(2-methylpropyl)-N-(3-phenylprop-2-yn-1-yl)furan-2-carboxamide
• IUPAC Traditional name: 5-(methoxymethyl)-N-(2-methylpropyl)-N-(3-phenylprop-2-yn-1-yl)furan-2-carboxamide
• Synonyms: N-isobutyl-5-(methoxymethyl)-N-(3-phenylprop-2-yn-1-yl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.569883
• LogD (pH = 7.4): 3.569883
• Log P: 3.569883
• Molar Refractivity: 92.754 cm^3
• Polarizability: 35.779053 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.74
• LOG S: -3.91
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 8