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

• ChemBase ID: 524404
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C(COC)C)C)CCc1ccccc1
• Canonical SMILES: COCC(N1CCC2(CC1)C(=O)N(C(=O)N2C)CCc1ccccc1)C
• InChI: InChI=1S/C20H29N3O3/c1-16(15-26-3)22-13-10-20(11-14-22)18(24)23(19(25)21(20)2)12-9-17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3
• InChIKey: JSHYONKJTVPTIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5201515
• LogD (pH = 7.4): 0.11159052
• Log P: 1.6348188
• Molar Refractivity: 101.1603 cm^3
• Polarizability: 39.291096 Å^3
• Polar Surface Area: 53.09 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: 1.49
• LOG S: -2.71
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5