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

• ChemBase ID: 443144
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: N1(C(C(=O)NCc2occc2)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCc1ccco1)CCN(CC2)C
• InChI: InChI=1S/C18H29N3O2/c1-3-8-21-14-18(6-9-20(2)10-7-18)12-16(21)17(22)19-13-15-5-4-11-23-15/h4-5,11,16H,3,6-10,12-14H2,1-2H3,(H,19,22)
• InChIKey: KPYWTKPNEHNYSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.506453
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.8586965
• LogD (pH = 7.4): -2.1864138
• Log P: 1.3527675
• Molar Refractivity: 91.7486 cm^3
• Polarizability: 35.774525 Å^3
• Polar Surface Area: 48.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.49
• LOG S: -2.8
• Polar Surface Area: 48.72 Å^2
• Rotatable Bonds: 5