N-cyclopentyl-N'-[2-(2-ethoxyphenoxy)ethyl]-N'-methylethanediamide

• ChemBase ID: 820331
• Molecular Formular: C18H26N2O4
• Molecular Mass: 334.41004
• Monoisotopic Mass: 334.18925732
• SMILES: C(=O)(C(=O)N(CCOc1c(OCC)cccc1)C)NC1CCCC1
• Canonical SMILES: CCOc1ccccc1OCCN(C(=O)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C18H26N2O4/c1-3-23-15-10-6-7-11-16(15)24-13-12-20(2)18(22)17(21)19-14-8-4-5-9-14/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3,(H,19,21)
• InChIKey: HXMSMNKXMXCNJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N'-[2-(2-ethoxyphenoxy)ethyl]-N'-methylethanediamide
• IUPAC Traditional name: N-cyclopentyl-N'-[2-(2-ethoxyphenoxy)ethyl]-N'-methylethanediamide
• Synonyms: N'-cyclopentyl-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylethanediamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.93
• LOG S: -4.14
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8
• H Acceptors: 4
• H Donor: 1

JChem

• Molar Refractivity: 90.9503 cm^3
• Polarizability: 35.488228 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 12.586669
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9912795
• LogD (pH = 7.4): 1.9912771
• Log P: 1.9912796