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

• ChemBase ID: 190857
• Molecular Formular: C16H25NO3
• Molecular Mass: 279.3746
• Monoisotopic Mass: 279.18344367
• SMILES: N(C(=O)CC)(Cc1occc1)CC1CC(OCC1)(C)C
• Canonical SMILES: CCC(=O)N(Cc1ccco1)CC1CCOC(C1)(C)C
• InChI: InChI=1S/C16H25NO3/c1-4-15(18)17(12-14-6-5-8-19-14)11-13-7-9-20-16(2,3)10-13/h5-6,8,13H,4,7,9-12H2,1-3H3
• InChIKey: ZNEGVZUHORLEIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246767
• PubChem CID: 3445834

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.021257
• LogD (pH = 7.4): 2.0212579
• Log P: 2.0212579
• Molar Refractivity: 78.2402 cm^3
• Polarizability: 30.465055 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds