N-(furan-2-ylmethyl)-3-methoxy-N-(3-methylbutan-2-yl)propanamide

• ChemBase ID: 575717
• Molecular Formular: C14H23NO3
• Molecular Mass: 253.33732
• Monoisotopic Mass: 253.1677936
• SMILES: N(C(=O)CCOC)(C(C(C)C)C)Cc1occc1
• Canonical SMILES: COCCC(=O)N(C(C(C)C)C)Cc1ccco1
• InChI: InChI=1S/C14H23NO3/c1-11(2)12(3)15(14(16)7-9-17-4)10-13-6-5-8-18-13/h5-6,8,11-12H,7,9-10H2,1-4H3
• InChIKey: UUYZHXHSPXURIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-3-methoxy-N-(3-methylbutan-2-yl)propanamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-3-methoxy-N-(3-methylbutan-2-yl)propanamide
• Synonyms: N-(1,2-dimethylpropyl)-N-(2-furylmethyl)-3-methoxypropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9255527
• LogD (pH = 7.4): 1.925553
• Log P: 1.925553
• Molar Refractivity: 70.5786 cm^3
• Polarizability: 27.512133 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.28
• LOG S: -2.99
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 7