9-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 689629
• Molecular Formular: C23H35N3O2
• Molecular Mass: 385.5429
• Monoisotopic Mass: 385.27292738
• SMILES: N1(C(=O)CCC2(C1)CCN(CCN1CCOCC1)CC2)CCc1ccccc1
• Canonical SMILES: O=C1CCC2(CN1CCc1ccccc1)CCN(CC2)CCN1CCOCC1
• InChI: InChI=1S/C23H35N3O2/c27-22-6-8-23(20-26(22)11-7-21-4-2-1-3-5-21)9-12-24(13-10-23)14-15-25-16-18-28-19-17-25/h1-5H,6-20H2
• InChIKey: VZRQOQYFSQQMSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(2-morpholin-4-ylethyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4377986
• LogD (pH = 7.4): 0.030698616
• Log P: 1.8879912
• Molar Refractivity: 113.6114 cm^3
• Polarizability: 44.40728 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.47
• LOG S: -4.12
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 6