8-(4-methoxybenzoyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 721882
• Molecular Formular: C20H28N2O4
• Molecular Mass: 360.44732
• Monoisotopic Mass: 360.20490739
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1ccc(cc1)OC)CC2)CCC(C)C
• Canonical SMILES: COc1ccc(cc1)C(=O)N1CCC2(CC1)OC(=O)N(C2)CCC(C)C
• InChI: InChI=1S/C20H28N2O4/c1-15(2)8-11-22-14-20(26-19(22)24)9-12-21(13-10-20)18(23)16-4-6-17(25-3)7-5-16/h4-7,15H,8-14H2,1-3H3
• InChIKey: WVEZLJPPFQJQPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-methoxybenzoyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(4-methoxybenzoyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(4-methoxybenzoyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3497202
• LogD (pH = 7.4): 2.3497205
• Log P: 2.3497205
• Molar Refractivity: 99.0817 cm^3
• Polarizability: 38.239315 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.14
• LOG S: -4.51
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5