N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide

• ChemBase ID: 420111
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: n1(c(=O)cccc1C)CCC(=O)NCc1c(cc2c(c1)CCC2)OC
• Canonical SMILES: COc1cc2CCCc2cc1CNC(=O)CCn1c(C)cccc1=O
• InChI: InChI=1S/C20H24N2O3/c1-14-5-3-8-20(24)22(14)10-9-19(23)21-13-17-11-15-6-4-7-16(15)12-18(17)25-2/h3,5,8,11-12H,4,6-7,9-10,13H2,1-2H3,(H,21,23)
• InChIKey: HTQYKJLIPNXEKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide
• IUPAC Traditional name: N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methyl-6-oxopyridin-1-yl)propanamide
• Synonyms: N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(6-methyl-2-oxopyridin-1(2H)-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.533928
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1488276
• LogD (pH = 7.4): 2.1488276
• Log P: 2.1488276
• Molar Refractivity: 100.221 cm^3
• Polarizability: 37.10321 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.27
• LOG S: -3.62
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 6