3-({[2-(2-methoxyethoxy)phenyl]carbamoyl}amino)-N,N-dimethylpropanamide

• ChemBase ID: 830794
• Molecular Formular: C15H23N3O4
• Molecular Mass: 309.36082
• Monoisotopic Mass: 309.16885623
• SMILES: C(=O)(Nc1c(OCCOC)cccc1)NCCC(=O)N(C)C
• Canonical SMILES: COCCOc1ccccc1NC(=O)NCCC(=O)N(C)C
• InChI: InChI=1S/C15H23N3O4/c1-18(2)14(19)8-9-16-15(20)17-12-6-4-5-7-13(12)22-11-10-21-3/h4-7H,8-11H2,1-3H3,(H2,16,17,20)
• InChIKey: JIQQQBBXBDWYBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({[2-(2-methoxyethoxy)phenyl]carbamoyl}amino)-N,N-dimethylpropanamide
• IUPAC Traditional name: 3-({[2-(2-methoxyethoxy)phenyl]carbamoyl}amino)-N,N-dimethylpropanamide
• Synonyms: N~3~-({[2-(2-methoxyethoxy)phenyl]amino}carbonyl)-N~1~,N~1~-dimethyl-beta-alaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.989213
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.25184536
• LogD (pH = 7.4): 0.25183487
• Log P: 0.2518455
• Molar Refractivity: 84.4007 cm^3
• Polarizability: 31.855629 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.02
• LOG S: -2.78
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 8