9-methyl-3-[(5-propylfuran-2-yl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one

• ChemBase ID: 720560
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: N1(C(=O)CCC2(CC1)CCN(Cc1oc(cc1)CCC)CC2)C
• Canonical SMILES: CCCc1ccc(o1)CN1CCC2(CC1)CCC(=O)N(CC2)C
• InChI: InChI=1S/C19H30N2O2/c1-3-4-16-5-6-17(23-16)15-21-13-10-19(11-14-21)8-7-18(22)20(2)12-9-19/h5-6H,3-4,7-15H2,1-2H3
• InChIKey: BTVSBKJTSGPFRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-3-[(5-propylfuran-2-yl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-methyl-3-[(5-propylfuran-2-yl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one
• Synonyms: 9-methyl-3-[(5-propyl-2-furyl)methyl]-3,9-diazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.8408118
• LogD (pH = 7.4): 0.7904907
• Log P: 2.3147461
• Molar Refractivity: 93.1834 cm^3
• Polarizability: 36.012035 Å^3
• Polar Surface Area: 36.69 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0
• Log P: 2.86
• LOG S: -3.96
• Polar Surface Area: 36.69 Å^2