8-(morpholine-2-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 368190
• Molecular Formular: C20H27N3O4
• Molecular Mass: 373.44608
• Monoisotopic Mass: 373.20015636
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)C1OCCNC1)CC2)CCc1ccccc1
• Canonical SMILES: O=C1OC2(CN1CCc1ccccc1)CCN(CC2)C(=O)C1CNCCO1
• InChI: InChI=1S/C20H27N3O4/c24-18(17-14-21-9-13-26-17)22-11-7-20(8-12-22)15-23(19(25)27-20)10-6-16-4-2-1-3-5-16/h1-5,17,21H,6-15H2
• InChIKey: PIKOCNPOGIMGFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(morpholine-2-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(morpholine-2-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(morpholin-2-ylcarbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.990719
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6359936
• LogD (pH = 7.4): 0.060399212
• Log P: 0.5573399
• Molar Refractivity: 99.8475 cm^3
• Polarizability: 39.277073 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.08
• LOG S: -2.85
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4