N-(9H-fluoren-9-yl)-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

• ChemBase ID: 533107
• Molecular Formular: C30H30N2O4
• Molecular Mass: 482.5702
• Monoisotopic Mass: 482.22055745
• SMILES: C1(C(=O)N(C(=O)C1)CCCOC)(c1c(C)cccc1)CC(=O)NC1c2c(c3c1cccc3)cccc2
• Canonical SMILES: COCCCN1C(=O)CC(C1=O)(CC(=O)NC1c2ccccc2c2c1cccc2)c1ccccc1C
• InChI: InChI=1S/C30H30N2O4/c1-20-10-3-8-15-25(20)30(19-27(34)32(29(30)35)16-9-17-36-2)18-26(33)31-28-23-13-6-4-11-21(23)22-12-5-7-14-24(22)28/h3-8,10-15,28H,9,16-19H2,1-2H3,(H,31,33)
• InChIKey: DHWQVQNGMSWSSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(9H-fluoren-9-yl)-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-(9H-fluoren-9-yl)-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• Synonyms: N-9H-fluoren-9-yl-2-[1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.282062
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.713168
• LogD (pH = 7.4): 3.7131674
• Log P: 3.713168
• Molar Refractivity: 138.2576 cm^3
• Polarizability: 54.61199 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.16
• LOG S: -6.67
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7