2-methoxy-N-[(2-methoxyphenyl)methyl]-N-propylbutanamide

• ChemBase ID: 695480
• Molecular Formular: C16H25NO3
• Molecular Mass: 279.3746
• Monoisotopic Mass: 279.18344367
• SMILES: C(=O)(N(Cc1c(OC)cccc1)CCC)C(OC)CC
• Canonical SMILES: CCCN(C(=O)C(OC)CC)Cc1ccccc1OC
• InChI: InChI=1S/C16H25NO3/c1-5-11-17(16(18)14(6-2)19-3)12-13-9-7-8-10-15(13)20-4/h7-10,14H,5-6,11-12H2,1-4H3
• InChIKey: ZNJISNDVFJSYPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[(2-methoxyphenyl)methyl]-N-propylbutanamide
• IUPAC Traditional name: 2-methoxy-N-[(2-methoxyphenyl)methyl]-N-propylbutanamide
• Synonyms: 2-methoxy-N-(2-methoxybenzyl)-N-propylbutanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7803612
• LogD (pH = 7.4): 2.7803612
• Log P: 2.7803612
• Molar Refractivity: 80.079 cm^3
• Polarizability: 31.315136 Å^3
• Polar Surface Area: 38.77 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: 2.91
• LOG S: -3.72
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8