N,N-dimethyl-4-[3-(propan-2-yloxy)phenyl]benzamide

• ChemBase ID: 632650
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: C(=O)(c1ccc(c2cc(OC(C)C)ccc2)cc1)N(C)C
• Canonical SMILES: CC(Oc1cccc(c1)c1ccc(cc1)C(=O)N(C)C)C
• InChI: InChI=1S/C18H21NO2/c1-13(2)21-17-7-5-6-16(12-17)14-8-10-15(11-9-14)18(20)19(3)4/h5-13H,1-4H3
• InChIKey: ZSCXOCSSQWYWQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-[3-(propan-2-yloxy)phenyl]benzamide
• IUPAC Traditional name: 4-(3-isopropoxyphenyl)-N,N-dimethylbenzamide
• Synonyms: 3'-isopropoxy-N,N-dimethylbiphenyl-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5341752
• LogD (pH = 7.4): 3.5341754
• Log P: 3.5341754
• Molar Refractivity: 85.6966 cm^3
• Polarizability: 34.03588 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.73
• LOG S: -3.6
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4