N-[2-(3-ethoxyphenoxy)ethyl]-N-methyl-2-(propan-2-yloxy)propanamide

• ChemBase ID: 682701
• Molecular Formular: C17H27NO4
• Molecular Mass: 309.40058
• Monoisotopic Mass: 309.19400835
• SMILES: C(=O)(C(OC(C)C)C)N(CCOc1cc(OCC)ccc1)C
• Canonical SMILES: CCOc1cccc(c1)OCCN(C(=O)C(OC(C)C)C)C
• InChI: InChI=1S/C17H27NO4/c1-6-20-15-8-7-9-16(12-15)21-11-10-18(5)17(19)14(4)22-13(2)3/h7-9,12-14H,6,10-11H2,1-5H3
• InChIKey: OJFPYZSGWCNANV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-ethoxyphenoxy)ethyl]-N-methyl-2-(propan-2-yloxy)propanamide
• IUPAC Traditional name: N-[2-(3-ethoxyphenoxy)ethyl]-2-isopropoxy-N-methylpropanamide
• Synonyms: N-[2-(3-ethoxyphenoxy)ethyl]-2-isopropoxy-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4282758
• LogD (pH = 7.4): 2.4282758
• Log P: 2.4282758
• Molar Refractivity: 86.138 cm^3
• Polarizability: 33.84252 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.51
• LOG S: -4.45
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 9