N-{2-[bis(propan-2-yl)amino]ethyl}-2-(2-oxopyrrolidin-1-yl)acetamide; sulfuric acid

• ChemBase ID: 63618
• Molecular Formular: C14H29N3O6S
• Molecular Mass: 367.46156
• Monoisotopic Mass: 367.17770666
• SMILES: S(=O)(=O)(O)O.N1(CC(=O)NCCN(C(C)C)C(C)C)CCCC1=O
• Canonical SMILES: OS(=O)(=O)O.O=C(CN1CCCC1=O)NCCN(C(C)C)C(C)C
• InChI: InChI=1S/C14H27N3O2.H2O4S/c1-11(2)17(12(3)4)9-7-15-13(18)10-16-8-5-6-14(16)19;1-5(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,18);(H2,1,2,3,4)
• InChIKey: ACSROKXFXFNERX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[bis(propan-2-yl)amino]ethyl}-2-(2-oxopyrrolidin-1-yl)acetamide; sulfuric acid
• IUPAC Traditional name: pramiracetam; sulfuric acid
• Synonyms: N-[2-(Diisopropylamino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide; sulfuric acid

Database IDs

• CAS Number: 72869-16-0
• MDL Number: MFCD01688385
• PubChem SID: 162029357
• PubChem CID: 51711

CALCULATED PROPERTIES

• Acid pKa: 15.849032
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3008301
• LogD (pH = 7.4): -2.0830343
• Log P: 0.10419401
• Molar Refractivity: 76.312 cm^3
• Polarizability: 29.734663 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%