2-benzyl-8-(cyclohex-3-en-1-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 787881
• Molecular Formular: C22H30N2O
• Molecular Mass: 338.4864
• Monoisotopic Mass: 338.23581359
• SMILES: N1(C(=O)CC2(C1)CCN(CC1CC=CCC1)CC2)Cc1ccccc1
• Canonical SMILES: O=C1CC2(CN1Cc1ccccc1)CCN(CC2)CC1CCC=CC1
• InChI: InChI=1S/C22H30N2O/c25-21-15-22(18-24(21)17-20-9-5-2-6-10-20)11-13-23(14-12-22)16-19-7-3-1-4-8-19/h1-3,5-6,9-10,19H,4,7-8,11-18H2
• InChIKey: BTWFSAJDZWCOOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-8-(cyclohex-3-en-1-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-benzyl-8-(cyclohex-3-en-1-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-benzyl-8-(cyclohex-3-en-1-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.3656956
• LogD (pH = 7.4): 0.4131983
• Log P: 3.106979
• Molar Refractivity: 104.0234 cm^3
• Polarizability: 40.12511 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.15
• LOG S: -5.21
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4