N-{[3-(dimethylamino)phenyl]methyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 759579
• Molecular Formular: C15H20N4O3
• Molecular Mass: 304.3443
• Monoisotopic Mass: 304.15354052
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCc1cc(N(C)C)ccc1
• Canonical SMILES: O=C(NCc1cccc(c1)N(C)C)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C15H20N4O3/c1-19(2)11-5-3-4-10(8-11)9-16-13(20)7-6-12-14(21)18-15(22)17-12/h3-5,8,12H,6-7,9H2,1-2H3,(H,16,20)(H2,17,18,21,22)
• InChIKey: PRZCWEBMSRQQIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(dimethylamino)phenyl]methyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-{[3-(dimethylamino)phenyl]methyl}-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: N-[3-(dimethylamino)benzyl]-3-(2,5-dioxo-4-imidazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.637721
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.054039948
• LogD (pH = 7.4): 0.011231596
• Log P: 0.014643498
• Molar Refractivity: 82.0905 cm^3
• Polarizability: 30.98227 Å^3
• Polar Surface Area: 90.54 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: -0.51
• LOG S: -2.29
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 6