11-(5-ethoxyfuran-2-carbonyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

• ChemBase ID: 332954
• Molecular Formular: C18H29N3O3
• Molecular Mass: 335.44116
• Monoisotopic Mass: 335.2208918
• SMILES: c1(C(=O)N2CC3(N(CCC2)C)CCN(CC3)C)oc(cc1)OCC
• Canonical SMILES: CCOc1ccc(o1)C(=O)N1CCCN(C2(C1)CCN(CC2)C)C
• InChI: InChI=1S/C18H29N3O3/c1-4-23-16-7-6-15(24-16)17(22)21-11-5-10-20(3)18(14-21)8-12-19(2)13-9-18/h6-7H,4-5,8-14H2,1-3H3
• InChIKey: OWQQOEHEKTXTCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-(5-ethoxyfuran-2-carbonyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
• IUPAC Traditional name: 11-(5-ethoxyfuran-2-carbonyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
• Synonyms: 11-(5-ethoxy-2-furoyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.8630097
• LogD (pH = 7.4): -1.2544767
• Log P: 0.47756675
• Molar Refractivity: 94.042 cm^3
• Polarizability: 36.25898 Å^3
• Polar Surface Area: 49.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.89
• LOG S: -4.11
• Polar Surface Area: 49.16 Å^2
• Rotatable Bonds: 3