N-({8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(morpholin-4-yl)propanamide

• ChemBase ID: 691441
• Molecular Formular: C23H35N3O3
• Molecular Mass: 401.5423
• Monoisotopic Mass: 401.267842
• SMILES: C(=O)(C(N1CCOCC1)C)NCC1OC2(CCN(Cc3ccccc3)CC2)CC1
• Canonical SMILES: O=C(C(N1CCOCC1)C)NCC1CCC2(O1)CCN(CC2)Cc1ccccc1
• InChI: InChI=1S/C23H35N3O3/c1-19(26-13-15-28-16-14-26)22(27)24-17-21-7-8-23(29-21)9-11-25(12-10-23)18-20-5-3-2-4-6-20/h2-6,19,21H,7-18H2,1H3,(H,24,27)
• InChIKey: ADDXXNYNNWJHSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(morpholin-4-yl)propanamide
• IUPAC Traditional name: N-({8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)-2-(morpholin-4-yl)propanamide
• Synonyms: N-[(8-benzyl-1-oxa-8-azaspiro[4.5]dec-2-yl)methyl]-2-(4-morpholinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.439275
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.8580815
• LogD (pH = 7.4): 0.2191931
• Log P: 1.528787
• Molar Refractivity: 114.568 cm^3
• Polarizability: 45.091946 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.85
• LOG S: -2.31
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 6