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

• ChemBase ID: 317165
• Molecular Formular: C23H33N3O3
• Molecular Mass: 399.52642
• Monoisotopic Mass: 399.25219193
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)CC1NCCOC1)CC2)CCc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N(C2)CCc1ccccc1)CC1COCCN1
• InChI: InChI=1S/C23H33N3O3/c27-21-6-8-23(18-26(21)12-7-19-4-2-1-3-5-19)9-13-25(14-10-23)22(28)16-20-17-29-15-11-24-20/h1-5,20,24H,6-18H2
• InChIKey: SADCXNYNTOJJJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3871576
• LogD (pH = 7.4): 0.32935622
• Log P: 0.9014714
• Molar Refractivity: 112.3674 cm^3
• Polarizability: 44.08518 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.02
• LOG S: -2.98
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5