4-methyl-N-propyl-N-(pyridin-3-ylmethyl)benzamide

• ChemBase ID: 683961
• Molecular Formular: C17H20N2O
• Molecular Mass: 268.3535
• Monoisotopic Mass: 268.15756327
• SMILES: C(=O)(N(Cc1cnccc1)CCC)c1ccc(cc1)C
• Canonical SMILES: CCCN(C(=O)c1ccc(cc1)C)Cc1cccnc1
• InChI: InChI=1S/C17H20N2O/c1-3-11-19(13-15-5-4-10-18-12-15)17(20)16-8-6-14(2)7-9-16/h4-10,12H,3,11,13H2,1-2H3
• InChIKey: USESFXAXGWGZPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-propyl-N-(pyridin-3-ylmethyl)benzamide
• IUPAC Traditional name: 4-methyl-N-propyl-N-(pyridin-3-ylmethyl)benzamide
• Synonyms: 4-methyl-N-propyl-N-(pyridin-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0985267
• LogD (pH = 7.4): 3.1697812
• Log P: 3.1707907
• Molar Refractivity: 81.6993 cm^3
• Polarizability: 30.992693 Å^3
• Polar Surface Area: 33.2 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: 2.85
• LOG S: -2.3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5