N-[(2R)-1-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]acetamide

• ChemBase ID: 692028
• Molecular Formular: C19H33N3O4
• Molecular Mass: 367.48302
• Monoisotopic Mass: 367.24710655
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)[C@H](NC(=O)C)CC)CC2)CC(CC)CC
• Canonical SMILES: CC[C@H](C(=O)N1CCC2(CC1)OC(=O)N(C2)CC(CC)CC)NC(=O)C
• InChI: InChI=1S/C19H33N3O4/c1-5-15(6-2)12-22-13-19(26-18(22)25)8-10-21(11-9-19)17(24)16(7-3)20-14(4)23/h15-16H,5-13H2,1-4H3,(H,20,23)/t16-/m1/s1
• InChIKey: QBYUYEIVCIOZFH-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R)-1-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]acetamide
• IUPAC Traditional name: N-[(2R)-1-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-1-oxobutan-2-yl]acetamide
• Synonyms: N-((1R)-1-{[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-8-yl]carbonyl}propyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.66968
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.161743
• LogD (pH = 7.4): 1.161741
• Log P: 1.161743
• Molar Refractivity: 98.2934 cm^3
• Polarizability: 38.628532 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.58
• LOG S: -4.08
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7