N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-2-(morpholin-3-yl)acetamide

• ChemBase ID: 543423
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: C(=O)(CC1NCCOC1)N(CCOc1c(ccc(c1)C)C)C
• Canonical SMILES: CN(C(=O)CC1COCCN1)CCOc1cc(C)ccc1C
• InChI: InChI=1S/C17H26N2O3/c1-13-4-5-14(2)16(10-13)22-9-7-19(3)17(20)11-15-12-21-8-6-18-15/h4-5,10,15,18H,6-9,11-12H2,1-3H3
• InChIKey: ZFVKBASALTVGTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-2-(morpholin-3-yl)acetamide
• IUPAC Traditional name: N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-2-(morpholin-3-yl)acetamide
• Synonyms: N-[2-(2,5-dimethylphenoxy)ethyl]-N-methyl-2-(3-morpholinyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6139488
• LogD (pH = 7.4): 1.1025658
• Log P: 1.6746861
• Molar Refractivity: 86.4723 cm^3
• Polarizability: 33.807613 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.99
• LOG S: -2.28
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6