2-[methyl({[4-(2-phenylethoxy)phenyl]methyl})amino]propanamide

• ChemBase ID: 865150
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: N(C(C(=O)N)C)(Cc1ccc(cc1)OCCc1ccccc1)C
• Canonical SMILES: CN(C(C(=O)N)C)Cc1ccc(cc1)OCCc1ccccc1
• InChI: InChI=1S/C19H24N2O2/c1-15(19(20)22)21(2)14-17-8-10-18(11-9-17)23-13-12-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H2,20,22)
• InChIKey: JKIYPSPATOOYPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[methyl({[4-(2-phenylethoxy)phenyl]methyl})amino]propanamide
• IUPAC Traditional name: 2-[methyl({[4-(2-phenylethoxy)phenyl]methyl})amino]propanamide
• Synonyms: N~2~-methyl-N~2~-[4-(2-phenylethoxy)benzyl]alaninamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.843533
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0683539
• LogD (pH = 7.4): 2.6840048
• Log P: 3.0099106
• Molar Refractivity: 92.8322 cm^3
• Polarizability: 36.156387 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.0
• LOG S: -4.04
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 8