3-benzyl-8-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 519193
• Molecular Formular: C22H33N3O4
• Molecular Mass: 403.51512
• Monoisotopic Mass: 403.24710655
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C(COC)C)CCCOC)Cc1ccccc1
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)C(COC)C)Cc1ccccc1
• InChI: InChI=1S/C22H33N3O4/c1-18(17-29-3)23-13-10-22(11-14-23)20(26)24(16-19-8-5-4-6-9-19)21(27)25(22)12-7-15-28-2/h4-6,8-9,18H,7,10-17H2,1-3H3
• InChIKey: NFXVCYIFUCVVJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-8-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 3-benzyl-8-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 3-benzyl-8-(2-methoxy-1-methylethyl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.7599372
• LogD (pH = 7.4): -0.10343755
• Log P: 1.3591418
• Molar Refractivity: 112.3142 cm^3
• Polarizability: 43.67145 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.4
• LOG S: -2.12
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 7