2-(2,5-dioxoimidazolidin-1-yl)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]acetamide

• ChemBase ID: 745435
• Molecular Formular: C16H19N3O4
• Molecular Mass: 317.33976
• Monoisotopic Mass: 317.1375561
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCc1c(cc2c(c1)CCC2)OC
• Canonical SMILES: COc1cc2CCCc2cc1CNC(=O)CN1C(=O)CNC1=O
• InChI: InChI=1S/C16H19N3O4/c1-23-13-6-11-4-2-3-10(11)5-12(13)7-17-14(20)9-19-15(21)8-18-16(19)22/h5-6H,2-4,7-9H2,1H3,(H,17,20)(H,18,22)
• InChIKey: NSALIHZBTZMMFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.691324
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.24265948
• LogD (pH = 7.4): 0.2426378
• Log P: 0.24265975
• Molar Refractivity: 82.7033 cm^3
• Polarizability: 31.504496 Å^3
• Polar Surface Area: 87.74 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: 0.51
• LOG S: -1.95
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 5