2-cyclobutyl-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 474914
• Molecular Formular: C20H28N2O2
• Molecular Mass: 328.44852
• Monoisotopic Mass: 328.21507815
• SMILES: C12(C(=O)N(Cc3cc(OC)ccc3)CCC2)CN(CC1)C1CCC1
• Canonical SMILES: COc1cccc(c1)CN1CCCC2(C1=O)CCN(C2)C1CCC1
• InChI: InChI=1S/C20H28N2O2/c1-24-18-8-2-5-16(13-18)14-21-11-4-9-20(19(21)23)10-12-22(15-20)17-6-3-7-17/h2,5,8,13,17H,3-4,6-7,9-12,14-15H2,1H3
• InChIKey: KSUNHOUQGRIOQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutyl-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-cyclobutyl-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-cyclobutyl-7-(3-methoxybenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8564624
• LogD (pH = 7.4): -0.113207884
• Log P: 2.6190135
• Molar Refractivity: 95.489 cm^3
• Polarizability: 37.332314 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.44
• LOG S: -2.33
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3