N-(cyclobutylmethyl)-2-(2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide

• ChemBase ID: 650861
• Molecular Formular: C21H28N2O3
• Molecular Mass: 356.45862
• Monoisotopic Mass: 356.20999277
• SMILES: N1(CC(=O)N(CC2OCCC2)CC2CCC2)C(=O)CCc2c1cccc2
• Canonical SMILES: O=C(N(CC1CCCO1)CC1CCC1)CN1C(=O)CCc2c1cccc2
• InChI: InChI=1S/C21H28N2O3/c24-20-11-10-17-7-1-2-9-19(17)23(20)15-21(25)22(13-16-5-3-6-16)14-18-8-4-12-26-18/h1-2,7,9,16,18H,3-6,8,10-15H2
• InChIKey: URPPJEZXPIYXLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclobutylmethyl)-2-(2-oxo-1,2,3,4-tetrahydroquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(cyclobutylmethyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
• Synonyms: N-(cyclobutylmethyl)-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.256487
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1428127
• LogD (pH = 7.4): 2.1428127
• Log P: 2.1428127
• Molar Refractivity: 99.7997 cm^3
• Polarizability: 38.862473 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.41
• LOG S: -3.86
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6