N-(butan-2-yl)-N-(3-phenylprop-2-yn-1-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

• ChemBase ID: 702696
• Molecular Formular: C20H26N2O
• Molecular Mass: 310.43324
• Monoisotopic Mass: 310.20451346
• SMILES: C(=O)(N(CC#Cc1ccccc1)C(CC)C)CC1=CCNCC1
• Canonical SMILES: CCC(N(C(=O)CC1=CCNCC1)CC#Cc1ccccc1)C
• InChI: InChI=1S/C20H26N2O/c1-3-17(2)22(15-7-10-18-8-5-4-6-9-18)20(23)16-19-11-13-21-14-12-19/h4-6,8-9,11,17,21H,3,12-16H2,1-2H3
• InChIKey: IPRLCFUNAPMIRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-N-(3-phenylprop-2-yn-1-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
• IUPAC Traditional name: N-(3-phenylprop-2-yn-1-yl)-N-(sec-butyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
• Synonyms: N-(sec-butyl)-N-(3-phenylprop-2-yn-1-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.23165193
• LogD (pH = 7.4): 0.7903527
• Log P: 2.9537935
• Molar Refractivity: 93.8979 cm^3
• Polarizability: 36.797066 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.23
• LOG S: -3.37
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7