N-(cyclohexylmethyl)-2-{2-[(dimethylamino)methyl]-4-phenylphenoxy}acetamide

• ChemBase ID: 440905
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: c1(cc(ccc1OCC(=O)NCC1CCCCC1)c1ccccc1)CN(C)C
• Canonical SMILES: CN(Cc1cc(ccc1OCC(=O)NCC1CCCCC1)c1ccccc1)C
• InChI: InChI=1S/C24H32N2O2/c1-26(2)17-22-15-21(20-11-7-4-8-12-20)13-14-23(22)28-18-24(27)25-16-19-9-5-3-6-10-19/h4,7-8,11-15,19H,3,5-6,9-10,16-18H2,1-2H3,(H,25,27)
• InChIKey: ODSPVGMJEHPEKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohexylmethyl)-2-{2-[(dimethylamino)methyl]-4-phenylphenoxy}acetamide
• IUPAC Traditional name: N-(cyclohexylmethyl)-2-{2-[(dimethylamino)methyl]-4-phenylphenoxy}acetamide
• Synonyms: N-(cyclohexylmethyl)-2-({3-[(dimethylamino)methyl]-4-biphenylyl}oxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.47289
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7767516
• LogD (pH = 7.4): 3.550886
• Log P: 4.4131966
• Molar Refractivity: 114.7486 cm^3
• Polarizability: 46.113724 Å^3
• Polar Surface Area: 41.57 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: 5.19
• LOG S: -4.4
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7