N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-2-[ethyl(methyl)amino]propanamide

• ChemBase ID: 493660
• Molecular Formular: C18H28N2O2
• Molecular Mass: 304.42712
• Monoisotopic Mass: 304.21507815
• SMILES: C(=O)(N(C1CC1)Cc1ccc(cc1)OCC)C(N(CC)C)C
• Canonical SMILES: CCOc1ccc(cc1)CN(C(=O)C(N(CC)C)C)C1CC1
• InChI: InChI=1S/C18H28N2O2/c1-5-19(4)14(3)18(21)20(16-9-10-16)13-15-7-11-17(12-8-15)22-6-2/h7-8,11-12,14,16H,5-6,9-10,13H2,1-4H3
• InChIKey: SKGXQZAHNWXICL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-2-[ethyl(methyl)amino]propanamide
• IUPAC Traditional name: N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-2-[ethyl(methyl)amino]propanamide
• Synonyms: N-cyclopropyl-N-(4-ethoxybenzyl)-2-[ethyl(methyl)amino]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.08792726
• LogD (pH = 7.4): 1.8584083
• Log P: 2.623309
• Molar Refractivity: 89.9664 cm^3
• Polarizability: 35.10866 Å^3
• Polar Surface Area: 32.78 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: 3.12
• LOG S: -4.08
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8