1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 476115
• Molecular Formular: C25H33N3O3
• Molecular Mass: 423.54782
• Monoisotopic Mass: 423.25219193
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)CCC)CCCOC)Cc1cc2c(cc1)cccc2
• Canonical SMILES: COCCCN1C(=O)N(C(=O)C21CCN(CC2)CCC)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C25H33N3O3/c1-3-13-26-15-11-25(12-16-26)23(29)27(24(30)28(25)14-6-17-31-2)19-20-9-10-21-7-4-5-8-22(21)18-20/h4-5,7-10,18H,3,6,11-17,19H2,1-2H3
• InChIKey: ZUSOVVROXPSDBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-(3-methoxypropyl)-3-(2-naphthylmethyl)-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.4322428
• LogD (pH = 7.4): 1.0548371
• Log P: 2.8583493
• Molar Refractivity: 122.5747 cm^3
• Polarizability: 48.637127 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.41
• LOG S: -3.87
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5