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

• ChemBase ID: 202457
• Molecular Formular: C23H37NO2
• Molecular Mass: 359.54538
• Monoisotopic Mass: 359.28242943
• SMILES: C1(CC(OCC1)(CC)C)(CCN(C(=O)CC)Cc1ccccc1)C(C)C
• Canonical SMILES: CCC(=O)N(Cc1ccccc1)CCC1(CCOC(C1)(C)CC)C(C)C
• InChI: InChI=1S/C23H37NO2/c1-6-21(25)24(17-20-11-9-8-10-12-20)15-13-23(19(3)4)14-16-26-22(5,7-2)18-23/h8-12,19H,6-7,13-18H2,1-5H3
• InChIKey: KGQNTWJYGRFRTB-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}propanamide
• IUPAC Traditional name: N-benzyl-N-[2-(2-ethyl-4-isopropyl-2-methyloxan-4-yl)ethyl]propanamide

Database IDs

• PubChem SID: 164258367
• PubChem CID: 3719349

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.881783
• LogD (pH = 7.4): 4.8817835
• Log P: 4.8817835
• Molar Refractivity: 108.676 cm^3
• Polarizability: 42.82418 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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