3-(2-phenylethyl)-8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 578096
• Molecular Formular: C21H23N3O3
• Molecular Mass: 365.42562
• Monoisotopic Mass: 365.17394161
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1cnccc1)CC2)CCc1ccccc1
• Canonical SMILES: O=C(c1cccnc1)N1CCC2(CC1)CN(C(=O)O2)CCc1ccccc1
• InChI: InChI=1S/C21H23N3O3/c25-19(18-7-4-11-22-15-18)23-13-9-21(10-14-23)16-24(20(26)27-21)12-8-17-5-2-1-3-6-17/h1-7,11,15H,8-10,12-14,16H2
• InChIKey: ASBYHLJWALPGLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-phenylethyl)-8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-(2-phenylethyl)-8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-(2-phenylethyl)-8-(pyridin-3-ylcarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.68699
• LogD (pH = 7.4): 1.6918728
• Log P: 1.6919355
• Molar Refractivity: 101.407 cm^3
• Polarizability: 38.882675 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.7
• LOG S: -3.32
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4