N-[(2,2-dimethyloxan-4-yl)methyl]-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 190786
• Molecular Formular: C15H23NO3
• Molecular Mass: 265.34802
• Monoisotopic Mass: 265.1677936
• SMILES: N(C(=O)C)(Cc1occc1)CC1CC(OCC1)(C)C
• Canonical SMILES: CC(=O)N(Cc1ccco1)CC1CCOC(C1)(C)C
• InChI: InChI=1S/C15H23NO3/c1-12(17)16(11-14-5-4-7-18-14)10-13-6-8-19-15(2,3)9-13/h4-5,7,13H,6,8-11H2,1-3H3
• InChIKey: XEJRAWAESCVGGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,2-dimethyloxan-4-yl)methyl]-N-(furan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-[(2,2-dimethyloxan-4-yl)methyl]-N-(furan-2-ylmethyl)acetamide

Database IDs

• PubChem SID: 164246696
• PubChem CID: 2964471

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3207215
• LogD (pH = 7.4): 1.3207221
• Log P: 1.3207221
• Molar Refractivity: 73.6133 cm^3
• Polarizability: 28.627102 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds