2-[(6S)-8,8-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]acetamide dihydrochloride

• ChemBase ID: 184520
• Molecular Formular: C12H25Cl2N3O2
• Molecular Mass: 314.2518
• Monoisotopic Mass: 313.13238242
• SMILES: N1(C[C@@]2(NCC1)CC(OCC2)(C)C)CC(=O)N.Cl.Cl
• Canonical SMILES: NC(=O)CN1CCN[C@@]2(C1)CCOC(C2)(C)C.Cl.Cl
• InChI: InChI=1S/C12H23N3O2.2ClH/c1-11(2)8-12(3-6-17-11)9-15(5-4-14-12)7-10(13)16;;/h14H,3-9H2,1-2H3,(H2,13,16);2*1H/t12-;;/m0../s1
• InChIKey: COBRRYLRFOGHSK-LTCKWSDVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6S)-8,8-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]acetamide dihydrochloride
• IUPAC Traditional name: 2-[(6S)-8,8-dimethyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl]acetamide dihydrochloride

Database IDs

• PubChem SID: 164240430
• PubChem CID: 52993377

CALCULATED PROPERTIES

• Acid pKa: 16.372168
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.199665
• LogD (pH = 7.4): -2.7830634
• Log P: -1.0926117
• Molar Refractivity: 66.0724 cm^3
• Polarizability: 26.335466 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl
• Classification: Rare Derivatives of Natural Compounds