N-(cyclobutylmethyl)-2-[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide

• ChemBase ID: 434181
• Molecular Formular: C26H36N2O6
• Molecular Mass: 472.57384
• Monoisotopic Mass: 472.25733688
• SMILES: C1(C(=O)N(C(=O)C1)CCOC)(CC(=O)N(CC1OCCC1)CC1CCC1)c1cc(OC)ccc1
• Canonical SMILES: COCCN1C(=O)CC(C1=O)(CC(=O)N(CC1CCCO1)CC1CCC1)c1cccc(c1)OC
• InChI: InChI=1S/C26H36N2O6/c1-32-13-11-28-24(30)16-26(25(28)31,20-8-4-9-21(14-20)33-2)15-23(29)27(17-19-6-3-7-19)18-22-10-5-12-34-22/h4,8-9,14,19,22H,3,5-7,10-13,15-18H2,1-2H3
• InChIKey: YRHNZSBOEFEEOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclobutylmethyl)-2-[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(cyclobutylmethyl)-2-[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
• Synonyms: N-(cyclobutylmethyl)-2-[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(tetrahydro-2-furanylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.585178
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6668333
• LogD (pH = 7.4): 1.6668336
• Log P: 1.6668336
• Molar Refractivity: 126.535 cm^3
• Polarizability: 49.562065 Å^3
• Polar Surface Area: 85.38 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.1
• LOG S: -3.19
• Polar Surface Area: 85.38 Å^2
• Rotatable Bonds: 9