2,2-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide

• ChemBase ID: 626889
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)C(C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C19H23N3O/c1-19(2,3)18(23)22-16-11-7-10-15-14(16)12-20-17(21-15)13-8-5-4-6-9-13/h4-6,8-9,12,16H,7,10-11H2,1-3H3,(H,22,23)
• InChIKey: SEMPQWFJNXDGLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
• IUPAC Traditional name: 2,2-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
• Synonyms: 2,2-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydro-5-quinazolinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.393535
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.045577
• LogD (pH = 7.4): 4.0458035
• Log P: 4.045807
• Molar Refractivity: 101.511 cm^3
• Polarizability: 35.79865 Å^3
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.8
• LOG S: -4.47
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 3