1-[2-(4-methoxyphenyl)ethyl]-4-[(pyridin-2-ylmethyl)amino]pyrrolidin-2-one

• ChemBase ID: 619951
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: N1(C(=O)CC(C1)NCc1ncccc1)CCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCN1CC(CC1=O)NCc1ccccn1
• InChI: InChI=1S/C19H23N3O2/c1-24-18-7-5-15(6-8-18)9-11-22-14-17(12-19(22)23)21-13-16-4-2-3-10-20-16/h2-8,10,17,21H,9,11-14H2,1H3
• InChIKey: RZGABSSBHDVWIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-methoxyphenyl)ethyl]-4-[(pyridin-2-ylmethyl)amino]pyrrolidin-2-one
• IUPAC Traditional name: 1-[2-(4-methoxyphenyl)ethyl]-4-[(pyridin-2-ylmethyl)amino]pyrrolidin-2-one
• Synonyms: 1-[2-(4-methoxyphenyl)ethyl]-4-[(2-pyridinylmethyl)amino]-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.41408253
• LogD (pH = 7.4): 1.1814388
• Log P: 1.4945048
• Molar Refractivity: 92.5585 cm^3
• Polarizability: 36.43509 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.4
• LOG S: -2.1
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6