8-(butan-2-yl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 819152
• Molecular Formular: C22H33N3O4
• Molecular Mass: 403.51512
• Monoisotopic Mass: 403.24710655
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C(CC)C)CCOC)Cc1cc(OC)ccc1
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)C(CC)C)Cc1cccc(c1)OC
• InChI: InChI=1S/C22H33N3O4/c1-5-17(2)23-11-9-22(10-12-23)20(26)24(21(27)25(22)13-14-28-3)16-18-7-6-8-19(15-18)29-4/h6-8,15,17H,5,9-14,16H2,1-4H3
• InChIKey: NYFKZXMWCXKTGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(butan-2-yl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-8-(sec-butyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-sec-butyl-3-(3-methoxybenzyl)-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.3020215
• LogD (pH = 7.4): 0.02671571
• Log P: 2.0678167
• Molar Refractivity: 112.1411 cm^3
• Polarizability: 43.654713 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.32
• LOG S: -2.33
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 5