5-{2-[(2-methoxyethyl)amino]ethyl}-1-(2-phenylethyl)pyrrolidin-2-one

• ChemBase ID: 555190
• Molecular Formular: C17H26N2O2
• Molecular Mass: 290.40054
• Monoisotopic Mass: 290.19942808
• SMILES: N1(C(=O)CCC1CCNCCOC)CCc1ccccc1
• Canonical SMILES: COCCNCCC1CCC(=O)N1CCc1ccccc1
• InChI: InChI=1S/C17H26N2O2/c1-21-14-12-18-11-9-16-7-8-17(20)19(16)13-10-15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3
• InChIKey: LFNJXNCQRGZCKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-[(2-methoxyethyl)amino]ethyl}-1-(2-phenylethyl)pyrrolidin-2-one
• IUPAC Traditional name: 5-{2-[(2-methoxyethyl)amino]ethyl}-1-(2-phenylethyl)pyrrolidin-2-one
• Synonyms: 5-{2-[(2-methoxyethyl)amino]ethyl}-1-(2-phenylethyl)-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8278403
• LogD (pH = 7.4): -0.86102206
• Log P: 1.365549
• Molar Refractivity: 84.8257 cm^3
• Polarizability: 33.284637 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.62
• LOG S: -1.4
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8