2-[4-methoxy-3-(methoxymethyl)benzoyl]-8-methyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 493268
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: N1(C(=O)c2cc(c(cc2)OC)COC)CC2(CC1)CCN(CC2)C
• Canonical SMILES: COCc1cc(ccc1OC)C(=O)N1CCC2(C1)CCN(CC2)C
• InChI: InChI=1S/C19H28N2O3/c1-20-9-6-19(7-10-20)8-11-21(14-19)18(22)15-4-5-17(24-3)16(12-15)13-23-2/h4-5,12H,6-11,13-14H2,1-3H3
• InChIKey: LOWXDWOQUZWZEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-methoxy-3-(methoxymethyl)benzoyl]-8-methyl-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[4-methoxy-3-(methoxymethyl)benzoyl]-8-methyl-2,8-diazaspiro[4.5]decane
• Synonyms: 2-[4-methoxy-3-(methoxymethyl)benzoyl]-8-methyl-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8979875
• LogD (pH = 7.4): -0.39429358
• Log P: 1.3812186
• Molar Refractivity: 95.8957 cm^3
• Polarizability: 36.68921 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.09
• LOG S: -2.55
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4