N-benzyl-N-{2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl}acetamide

• ChemBase ID: 202665
• Molecular Formular: C22H35NO2
• Molecular Mass: 345.5188
• Monoisotopic Mass: 345.26677937
• SMILES: C1(CC(OCC1)(CC)C)(CCN(C(=O)C)Cc1ccccc1)C(C)C
• Canonical SMILES: CCC1(C)OCCC(C1)(CCN(C(=O)C)Cc1ccccc1)C(C)C
• InChI: InChI=1S/C22H35NO2/c1-6-21(5)17-22(18(2)3,13-15-25-21)12-14-23(19(4)24)16-20-10-8-7-9-11-20/h7-11,18H,6,12-17H2,1-5H3
• InChIKey: LVLYBTXEWVKWEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-{2-[2-ethyl-2-methyl-4-(propan-2-yl)oxan-4-yl]ethyl}acetamide
• IUPAC Traditional name: N-benzyl-N-[2-(2-ethyl-4-isopropyl-2-methyloxan-4-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164258575
• PubChem CID: 3334434

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.181247
• LogD (pH = 7.4): 4.1812477
• Log P: 4.1812477
• Molar Refractivity: 104.0491 cm^3
• Polarizability: 40.979126 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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