1-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]-N-propylcyclopropane-1-carboxamide

• ChemBase ID: 383051
• Molecular Formular: C17H25NO3
• Molecular Mass: 291.3853
• Monoisotopic Mass: 291.18344367
• SMILES: C1(C(=O)N(Cc2ccc(cc2)OC)CCC)(CC1)COC
• Canonical SMILES: CCCN(C(=O)C1(COC)CC1)Cc1ccc(cc1)OC
• InChI: InChI=1S/C17H25NO3/c1-4-11-18(16(19)17(9-10-17)13-20-2)12-14-5-7-15(21-3)8-6-14/h5-8H,4,9-13H2,1-3H3
• InChIKey: JGSLOZVBUJIWOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]-N-propylcyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]-N-propylcyclopropane-1-carboxamide
• Synonyms: N-(4-methoxybenzyl)-1-(methoxymethyl)-N-propylcyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5613618
• LogD (pH = 7.4): 2.5613618
• Log P: 2.5613618
• Molar Refractivity: 83.0338 cm^3
• Polarizability: 32.428246 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: 2.66
• LOG S: -3.59
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8