N-(2,2-dimethyloxan-4-yl)-N-{2-[N-(2,2-dimethyloxan-4-yl)acetamido]ethyl}acetamide

• ChemBase ID: 221319
• Molecular Formular: C20H36N2O4
• Molecular Mass: 368.51084
• Monoisotopic Mass: 368.26750764
• SMILES: N(C1CC(OCC1)(C)C)(C(=O)C)CCN(C1CC(OCC1)(C)C)C(=O)C
• Canonical SMILES: CC(=O)N(C1CCOC(C1)(C)C)CCN(C1CCOC(C1)(C)C)C(=O)C
• InChI: InChI=1S/C20H36N2O4/c1-15(23)21(17-7-11-25-19(3,4)13-17)9-10-22(16(2)24)18-8-12-26-20(5,6)14-18/h17-18H,7-14H2,1-6H3
• InChIKey: CSGICRVEKHLVJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-N-{2-[N-(2,2-dimethyloxan-4-yl)acetamido]ethyl}acetamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-N-{2-[N-(2,2-dimethyloxan-4-yl)acetamido]ethyl}acetamide

Database IDs

• PubChem SID: 164277229
• PubChem CID: 42648775

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.02072551
• LogD (pH = 7.4): -0.020721804
• Log P: -0.020721758
• Molar Refractivity: 101.6146 cm^3
• Polarizability: 39.928104 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds