N-{1-oxa-8-azaspiro[4.5]decan-3-yl}-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanamide

• ChemBase ID: 478650
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c1(=O)n(c2c([nH]1)cccc2)CCC(=O)NC1CC2(OC1)CCNCC2
• Canonical SMILES: O=C(NC1COC2(C1)CCNCC2)CCn1c(=O)[nH]c2c1cccc2
• InChI: InChI=1S/C18H24N4O3/c23-16(20-13-11-18(25-12-13)6-8-19-9-7-18)5-10-22-15-4-2-1-3-14(15)21-17(22)24/h1-4,13,19H,5-12H2,(H,20,23)(H,21,24)
• InChIKey: YKCUEUOLPOLACB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-oxa-8-azaspiro[4.5]decan-3-yl}-3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propanamide
• IUPAC Traditional name: N-{1-oxa-8-azaspiro[4.5]decan-3-yl}-3-(2-oxo-3H-1,3-benzodiazol-1-yl)propanamide
• Synonyms: N-1-oxa-8-azaspiro[4.5]dec-3-yl-3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.912196
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.4283628
• LogD (pH = 7.4): -2.7297397
• Log P: -0.2091085
• Molar Refractivity: 94.2697 cm^3
• Polarizability: 36.01265 Å^3
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.11
• LOG S: -2.93
• Polar Surface Area: 88.15 Å^2
• Rotatable Bonds: 4