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

• ChemBase ID: 581496
• Molecular Formular: C18H29N3O3
• Molecular Mass: 335.44116
• Monoisotopic Mass: 335.2208918
• SMILES: N1(C(=O)c2oc(cc2)COC)CC2(N(CCC1)C)CCN(CC2)C
• Canonical SMILES: COCc1ccc(o1)C(=O)N1CCCN(C2(C1)CCN(CC2)C)C
• InChI: InChI=1S/C18H29N3O3/c1-19-11-7-18(8-12-19)14-21(10-4-9-20(18)2)17(22)16-6-5-15(24-16)13-23-3/h5-6H,4,7-14H2,1-3H3
• InChIKey: KPRPJRNTEQVEOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-[5-(methoxymethyl)furan-2-carbonyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
• IUPAC Traditional name: 11-[5-(methoxymethyl)furan-2-carbonyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
• Synonyms: 11-[5-(methoxymethyl)-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): -4.349133
• LogD (pH = 7.4): -1.743287
• Log P: -0.015083096
• Molar Refractivity: 95.0215 cm^3
• Polarizability: 36.26622 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: 1.39
• LOG S: -2.83
• Polar Surface Area: 49.16 Å^2
• Rotatable Bonds: 3