N-[3-oxo-3-(7-{[4-(propan-2-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-2-yl)propyl]acetamide

• ChemBase ID: 817548
• Molecular Formular: C23H35N3O2
• Molecular Mass: 385.5429
• Monoisotopic Mass: 385.27292738
• SMILES: N1(C(=O)CCNC(=O)C)CC2(CN(Cc3ccc(cc3)C(C)C)CCC2)CC1
• Canonical SMILES: CC(=O)NCCC(=O)N1CCC2(C1)CCCN(C2)Cc1ccc(cc1)C(C)C
• InChI: InChI=1S/C23H35N3O2/c1-18(2)21-7-5-20(6-8-21)15-25-13-4-10-23(16-25)11-14-26(17-23)22(28)9-12-24-19(3)27/h5-8,18H,4,9-17H2,1-3H3,(H,24,27)
• InChIKey: UJEJFXZDNPZEMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-oxo-3-(7-{[4-(propan-2-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-2-yl)propyl]acetamide
• IUPAC Traditional name: N-(3-{7-[(4-isopropylphenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}-3-oxopropyl)acetamide
• Synonyms: N-{3-[7-(4-isopropylbenzyl)-2,7-diazaspiro[4.5]dec-2-yl]-3-oxopropyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.967387
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0883639
• LogD (pH = 7.4): 0.5437879
• Log P: 2.066058
• Molar Refractivity: 113.3472 cm^3
• Polarizability: 44.04089 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.08
• LOG S: -3.07
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5