N-[(3S,4R)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-4-(propan-2-yl)pyrrolidin-3-yl]acetamide

• ChemBase ID: 600878
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: N1(C(=O)c2cc(N3C(=O)NCC3)ccc2)C[C@H]([C@@H](C1)NC(=O)C)C(C)C
• Canonical SMILES: CC(=O)N[C@@H]1CN(C[C@H]1C(C)C)C(=O)c1cccc(c1)N1CCNC1=O
• InChI: InChI=1S/C19H26N4O3/c1-12(2)16-10-22(11-17(16)21-13(3)24)18(25)14-5-4-6-15(9-14)23-8-7-20-19(23)26/h4-6,9,12,16-17H,7-8,10-11H2,1-3H3,(H,20,26)(H,21,24)/t16-,17+/m0/s1
• InChIKey: XRZIPLMKPVKPLD-DLBZAZTESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4R)-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]-4-(propan-2-yl)pyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[(3S,4R)-4-isopropyl-1-[3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidin-3-yl]acetamide
• Synonyms: N-{(3S*,4R*)-4-isopropyl-1-[3-(2-oxo-1-imidazolidinyl)benzoyl]-3-pyrrolidinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.10025
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.27259606
• LogD (pH = 7.4): 0.27259624
• Log P: 0.27259624
• Molar Refractivity: 98.0393 cm^3
• Polarizability: 37.372505 Å^3
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.99
• LOG S: -2.28
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 4