N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 191717
• Molecular Formular: C24H33NO3
• Molecular Mass: 383.52372
• Monoisotopic Mass: 383.24604392
• SMILES: N(C(=O)C)(Cc1occc1)CCC(C1CC(OCC1)(C)C)Cc1ccccc1
• Canonical SMILES: CC(=O)N(Cc1ccco1)CCC(C1CCOC(C1)(C)C)Cc1ccccc1
• InChI: InChI=1S/C24H33NO3/c1-19(26)25(18-23-10-7-14-27-23)13-11-21(16-20-8-5-4-6-9-20)22-12-15-28-24(2,3)17-22/h4-10,14,21-22H,11-13,15-18H2,1-3H3
• InChIKey: JAZNZAFCHUHFCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]-N-(furan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]-N-(furan-2-ylmethyl)acetamide

Database IDs

• PubChem SID: 164247627
• PubChem CID: 3156998

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.997297
• LogD (pH = 7.4): 3.9972975
• Log P: 3.9972975
• Molar Refractivity: 112.1369 cm^3
• Polarizability: 43.66266 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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