N-[(1S,2R)-2-aminocyclobutyl]-3,3-diphenylpropanamide

• ChemBase ID: 520876
• Molecular Formular: C19H22N2O
• Molecular Mass: 294.39078
• Monoisotopic Mass: 294.17321333
• SMILES: C(=O)(N[C@@H]1[C@@H](CC1)N)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: N[C@@H]1CC[C@@H]1NC(=O)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H22N2O/c20-17-11-12-18(17)21-19(22)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18H,11-13,20H2,(H,21,22)/t17-,18+/m1/s1
• InChIKey: GSGJZYZJSXMTGS-MSOLQXFVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R)-2-aminocyclobutyl]-3,3-diphenylpropanamide
• IUPAC Traditional name: N-[(1S,2R)-2-aminocyclobutyl]-3,3-diphenylpropanamide
• Synonyms: N-[(1S*,2R*)-2-aminocyclobutyl]-3,3-diphenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.873058
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.33359203
• LogD (pH = 7.4): 0.8037101
• Log P: 2.621467
• Molar Refractivity: 88.1603 cm^3
• Polarizability: 34.850792 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.03
• LOG S: -3.08
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 5