4-[2-(3-methoxyphenoxy)ethyl]-N,N-dimethylbenzamide

• ChemBase ID: 843511
• Molecular Formular: C18H21NO3
• Molecular Mass: 299.36424
• Monoisotopic Mass: 299.15214354
• SMILES: C(=O)(c1ccc(cc1)CCOc1cc(OC)ccc1)N(C)C
• Canonical SMILES: COc1cccc(c1)OCCc1ccc(cc1)C(=O)N(C)C
• InChI: InChI=1S/C18H21NO3/c1-19(2)18(20)15-9-7-14(8-10-15)11-12-22-17-6-4-5-16(13-17)21-3/h4-10,13H,11-12H2,1-3H3
• InChIKey: HEQRQAUFAPRRPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3-methoxyphenoxy)ethyl]-N,N-dimethylbenzamide
• IUPAC Traditional name: 4-[2-(3-methoxyphenoxy)ethyl]-N,N-dimethylbenzamide
• Synonyms: 4-[2-(3-methoxyphenoxy)ethyl]-N,N-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.96903
• LogD (pH = 7.4): 2.9690301
• Log P: 2.9690301
• Molar Refractivity: 87.2238 cm^3
• Polarizability: 33.2335 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.03
• LOG S: -3.12
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6