(10aR)-2-dodecyl-1H,2H,3H,5H,10H,10aH-imidazolidino[1,5-b]isoquinoline-1,3-dione

• ChemBase ID: 194415
• Molecular Formular: C23H34N2O2
• Molecular Mass: 370.52826
• Monoisotopic Mass: 370.26202834
• SMILES: N1(C(=O)N2[C@@H](C1=O)Cc1c(C2)cccc1)CCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCN1C(=O)[C@@H]2N(C1=O)Cc1c(C2)cccc1
• InChI: InChI=1S/C23H34N2O2/c1-2-3-4-5-6-7-8-9-10-13-16-24-22(26)21-17-19-14-11-12-15-20(19)18-25(21)23(24)27/h11-12,14-15,21H,2-10,13,16-18H2,1H3/t21-/m1/s1
• InChIKey: AZHTWBZMAZSEKV-OAQYLSRUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (10aR)-2-dodecyl-1H,2H,3H,5H,10H,10aH-imidazolidino[1,5-b]isoquinoline-1,3-dione
• IUPAC Traditional name: (10aR)-2-dodecyl-5H,10H,10aH-imidazolidino[1,5-b]isoquinoline-1,3-dione

Database IDs

• PubChem SID: 164250325
• PubChem CID: 16398316

CALCULATED PROPERTIES

• Acid pKa: 15.031844
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.853898
• LogD (pH = 7.4): 5.853898
• Log P: 5.853898
• Molar Refractivity: 109.1886 cm^3
• Polarizability: 42.591667 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds