2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 634961
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: C(=O)(N1CCC2(CN(C(=O)CC2)CCOC)CC1)Nc1c(OC)cccc1
• Canonical SMILES: COCCN1CC2(CCC1=O)CCN(CC2)C(=O)Nc1ccccc1OC
• InChI: InChI=1S/C20H29N3O4/c1-26-14-13-23-15-20(8-7-18(23)24)9-11-22(12-10-20)19(25)21-16-5-3-4-6-17(16)27-2/h3-6H,7-15H2,1-2H3,(H,21,25)
• InChIKey: FGJDPWIIGCNAEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: 2-(2-methoxyethyl)-N-(2-methoxyphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 11.884976
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.004659
• LogD (pH = 7.4): 1.0046458
• Log P: 1.0046593
• Molar Refractivity: 104.0599 cm^3
• Polarizability: 39.59017 Å^3
• Polar Surface Area: 71.11 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1
• Log P: 1.01
• LOG S: -2.8
• Polar Surface Area: 71.11 Å^2