N-[(3R,4S)-1-acetyl-4-propylpyrrolidin-3-yl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 367573
• Molecular Formular: C16H26N4O4
• Molecular Mass: 338.40204
• Monoisotopic Mass: 338.19540533
• SMILES: C1(=O)NC(=O)C(N1CC(=O)N[C@H]1CN(C(=O)C)C[C@@H]1CCC)(C)C
• Canonical SMILES: CCC[C@H]1CN(C[C@@H]1NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)C
• InChI: InChI=1S/C16H26N4O4/c1-5-6-11-7-19(10(2)21)8-12(11)17-13(22)9-20-15(24)18-14(23)16(20,3)4/h11-12H,5-9H2,1-4H3,(H,17,22)(H,18,23,24)/t11-,12-/m0/s1
• InChIKey: XXZVZVSZHRKDCB-RYUDHWBXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-1-acetyl-4-propylpyrrolidin-3-yl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(3R,4S)-1-acetyl-4-propylpyrrolidin-3-yl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[(3R*,4S*)-1-acetyl-4-propyl-3-pyrrolidinyl]-2-(5,5-dimethyl-2,4-dioxo-1-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.144617
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7681057
• LogD (pH = 7.4): -0.7688682
• Log P: -0.7680959
• Molar Refractivity: 86.4288 cm^3
• Polarizability: 33.682766 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.08
• LOG S: -2.91
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 5