N-[3-(2-methoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide

• ChemBase ID: 844631
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: C(=O)(C1CNCC1)N(CCCOc1c(OC)cccc1)C
• Canonical SMILES: COc1ccccc1OCCCN(C(=O)C1CNCC1)C
• InChI: InChI=1S/C16H24N2O3/c1-18(16(19)13-8-9-17-12-13)10-5-11-21-15-7-4-3-6-14(15)20-2/h3-4,6-7,13,17H,5,8-12H2,1-2H3
• InChIKey: YYMUYYOXNUEIFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide
• IUPAC Traditional name: N-[3-(2-methoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide
• Synonyms: N-[3-(2-methoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.456206
• LogD (pH = 7.4): -2.0867553
• Log P: 0.7783186
• Molar Refractivity: 81.8167 cm^3
• Polarizability: 32.105305 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.14
• LOG S: -2.31
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7