2-[4-(cyclopropylmethoxy)phenyl]-N,N-dimethylbenzamide

• ChemBase ID: 403345
• Molecular Formular: C19H21NO2
• Molecular Mass: 295.37554
• Monoisotopic Mass: 295.15722892
• SMILES: C(=O)(c1c(c2ccc(OCC3CC3)cc2)cccc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccccc1c1ccc(cc1)OCC1CC1)C
• InChI: InChI=1S/C19H21NO2/c1-20(2)19(21)18-6-4-3-5-17(18)15-9-11-16(12-10-15)22-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3
• InChIKey: KCMXCFCIFGDBCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(cyclopropylmethoxy)phenyl]-N,N-dimethylbenzamide
• IUPAC Traditional name: 2-[4-(cyclopropylmethoxy)phenyl]-N,N-dimethylbenzamide
• Synonyms: 4'-(cyclopropylmethoxy)-N,N-dimethylbiphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5413694
• LogD (pH = 7.4): 3.5413697
• Log P: 3.5413697
• Molar Refractivity: 88.4712 cm^3
• Polarizability: 35.14324 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.61
• LOG S: -3.58
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5