2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]acetamide

• ChemBase ID: 573080
• Molecular Formular: C18H23N3O4
• Molecular Mass: 345.39292
• Monoisotopic Mass: 345.16885623
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1c(cc2c(c1)CCC2)OC)C)C
• Canonical SMILES: COc1cc2CCCc2cc1CNC(=O)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C18H23N3O4/c1-20-14(17(23)21(2)18(20)24)9-16(22)19-10-13-7-11-5-4-6-12(11)8-15(13)25-3/h7-8,14H,4-6,9-10H2,1-3H3,(H,19,22)
• InChIKey: OQOUBGQZRYWANV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]acetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.17618
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.91530484
• LogD (pH = 7.4): 0.9153048
• Log P: 0.91530484
• Molar Refractivity: 92.0447 cm^3
• Polarizability: 35.16568 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.24
• LOG S: -3.23
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 5