N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 699331
• Molecular Formular: C20H33N3O2
• Molecular Mass: 347.49492
• Monoisotopic Mass: 347.25727731
• SMILES: N1(C(C(=O)NCCCc2occc2)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCCCc1ccco1)CCN(CC2)C
• InChI: InChI=1S/C20H33N3O2/c1-3-11-23-16-20(8-12-22(2)13-9-20)15-18(23)19(24)21-10-4-6-17-7-5-14-25-17/h5,7,14,18H,3-4,6,8-13,15-16H2,1-2H3,(H,21,24)
• InChIKey: VDGJCMGCTSDLKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[3-(2-furyl)propyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.472937
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.572891
• LogD (pH = 7.4): -1.9745761
• Log P: 1.9300898
• Molar Refractivity: 101.2586 cm^3
• Polarizability: 39.45956 Å^3
• Polar Surface Area: 48.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.26
• LOG S: -3.66
• Polar Surface Area: 48.72 Å^2
• Rotatable Bonds: 7