N-[4-({3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl}methyl)phenyl]acetamide

• ChemBase ID: 730070
• Molecular Formular: C16H21N3O3
• Molecular Mass: 303.35624
• Monoisotopic Mass: 303.15829155
• SMILES: C1(=O)N(CC2(O1)CN(Cc1ccc(NC(=O)C)cc1)CC2)C
• Canonical SMILES: CC(=O)Nc1ccc(cc1)CN1CCC2(C1)OC(=O)N(C2)C
• InChI: InChI=1S/C16H21N3O3/c1-12(20)17-14-5-3-13(4-6-14)9-19-8-7-16(11-19)10-18(2)15(21)22-16/h3-6H,7-11H2,1-2H3,(H,17,20)
• InChIKey: QEQBVSBDODEAHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-({3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl}methyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-({3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl}methyl)phenyl]acetamide
• Synonyms: N-{4-[(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]non-7-yl)methyl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.355078
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.029571
• LogD (pH = 7.4): -0.25994852
• Log P: 0.7176286
• Molar Refractivity: 83.8648 cm^3
• Polarizability: 31.92319 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.35
• LOG S: -3.02
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 3