8-(morpholine-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 861351
• Molecular Formular: C22H31N3O3
• Molecular Mass: 385.49984
• Monoisotopic Mass: 385.23654187
• SMILES: C(=O)(N1CC2(CN(C(=O)CC2)CCc2ccccc2)CCC1)N1CCOCC1
• Canonical SMILES: O=C1CCC2(CN1CCc1ccccc1)CCCN(C2)C(=O)N1CCOCC1
• InChI: InChI=1S/C22H31N3O3/c26-20-7-10-22(17-24(20)12-8-19-5-2-1-3-6-19)9-4-11-25(18-22)21(27)23-13-15-28-16-14-23/h1-3,5-6H,4,7-18H2
• InChIKey: NCVPLQLVMBFMBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(morpholine-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(morpholine-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(morpholin-4-ylcarbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3659542
• LogD (pH = 7.4): 1.3659551
• Log P: 1.3659551
• Molar Refractivity: 108.1796 cm^3
• Polarizability: 41.858307 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.17
• LOG S: -3.86
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3