N-(cyclopropylmethyl)-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide

• ChemBase ID: 542173
• Molecular Formular: C28H32N2O4
• Molecular Mass: 460.56468
• Monoisotopic Mass: 460.23620751
• SMILES: C1(C(=O)N(C(=O)C1)C)(CC(=O)N(CC1CC1)CC1OCCC1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=C(N(CC1CCCO1)CC1CC1)CC1(CC(=O)N(C1=O)C)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C28H32N2O4/c1-29-25(31)16-28(27(29)33,23-13-11-22(12-14-23)21-6-3-2-4-7-21)17-26(32)30(18-20-9-10-20)19-24-8-5-15-34-24/h2-4,6-7,11-14,20,24H,5,8-10,15-19H2,1H3
• InChIKey: ICNBDPGZBDYJIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(cyclopropylmethyl)-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
• Synonyms: 2-[3-(4-biphenylyl)-1-methyl-2,5-dioxo-3-pyrrolidinyl]-N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.637491
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0741367
• LogD (pH = 7.4): 3.0741372
• Log P: 3.0741372
• Molar Refractivity: 129.5635 cm^3
• Polarizability: 51.729527 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.31
• LOG S: -5.52
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 8