2-cyclopentyl-N-(furan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 546398
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)NCc1occc1)CC2)C1CCCC1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N(C2)C1CCCC1)NCc1ccco1
• InChI: InChI=1S/C20H29N3O3/c24-18-7-8-20(15-23(18)16-4-1-2-5-16)9-11-22(12-10-20)19(25)21-14-17-6-3-13-26-17/h3,6,13,16H,1-2,4-5,7-12,14-15H2,(H,21,25)
• InChIKey: SNLKVTYTQPXXLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-N-(furan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: 2-cyclopentyl-N-(furan-2-ylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: 2-cyclopentyl-N-(2-furylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.620068
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3311585
• LogD (pH = 7.4): 1.3311592
• Log P: 1.3311594
• Molar Refractivity: 98.4115 cm^3
• Polarizability: 38.046783 Å^3
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.11
• LOG S: -3.62
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 3