2-[4-(propan-2-yl)phenyl]-N-propyl-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 431431
• Molecular Formular: C20H26N2O
• Molecular Mass: 310.43324
• Monoisotopic Mass: 310.20451346
• SMILES: C(=O)(N(Cc1cnccc1)CCC)Cc1ccc(cc1)C(C)C
• Canonical SMILES: CCCN(C(=O)Cc1ccc(cc1)C(C)C)Cc1cccnc1
• InChI: InChI=1S/C20H26N2O/c1-4-12-22(15-18-6-5-11-21-14-18)20(23)13-17-7-9-19(10-8-17)16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3
• InChIKey: YWLNBOBLXBNHNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(propan-2-yl)phenyl]-N-propyl-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: 2-(4-isopropylphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: 2-(4-isopropylphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8102694
• LogD (pH = 7.4): 3.881534
• Log P: 3.8825438
• Molar Refractivity: 94.9003 cm^3
• Polarizability: 36.749043 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.64
• LOG S: -3.27
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 7