N-cyclopropyl-2-[4-({[(3-methyloxetan-3-yl)methyl]carbamoyl}amino)phenyl]acetamide

• ChemBase ID: 691741
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: C(=O)(Nc1ccc(CC(=O)NC2CC2)cc1)NCC1(COC1)C
• Canonical SMILES: O=C(Nc1ccc(cc1)CC(=O)NC1CC1)NCC1(C)COC1
• InChI: InChI=1S/C17H23N3O3/c1-17(10-23-11-17)9-18-16(22)20-14-4-2-12(3-5-14)8-15(21)19-13-6-7-13/h2-5,13H,6-11H2,1H3,(H,19,21)(H2,18,20,22)
• InChIKey: MVOZWYHVLGSSDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[4-({[(3-methyloxetan-3-yl)methyl]carbamoyl}amino)phenyl]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-[4-({[(3-methyloxetan-3-yl)methyl]carbamoyl}amino)phenyl]acetamide
• Synonyms: N-cyclopropyl-2-{4-[({[(3-methyloxetan-3-yl)methyl]amino}carbonyl)amino]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.561388
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.84359825
• LogD (pH = 7.4): 0.843598
• Log P: 0.8435983
• Molar Refractivity: 87.9137 cm^3
• Polarizability: 33.377857 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: -0.1
• LOG S: -2.74
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 6