N-{2-[(2S)-2-ethyl-2-methyl-4-phenyloxan-4-yl]ethyl}-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 192353
• Molecular Formular: C23H31NO3
• Molecular Mass: 369.49714
• Monoisotopic Mass: 369.23039386
• SMILES: C1(C[C@@](OCC1)(CC)C)(CCN(C(=O)C)Cc1occc1)c1ccccc1
• Canonical SMILES: CC[C@]1(C)OCCC(C1)(CCN(C(=O)C)Cc1ccco1)c1ccccc1
• InChI: InChI=1S/C23H31NO3/c1-4-22(3)18-23(13-16-27-22,20-9-6-5-7-10-20)12-14-24(19(2)25)17-21-11-8-15-26-21/h5-11,15H,4,12-14,16-18H2,1-3H3/t22-,23?/m0/s1
• InChIKey: UQORBKYGADPLOB-NQCNTLBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(2S)-2-ethyl-2-methyl-4-phenyloxan-4-yl]ethyl}-N-(furan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-{2-[(2S)-2-ethyl-2-methyl-4-phenyloxan-4-yl]ethyl}-N-(furan-2-ylmethyl)acetamide

Database IDs

• PubChem SID: 164248263
• PubChem CID: 16397833

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6437101
• LogD (pH = 7.4): 3.6437106
• Log P: 3.6437106
• Molar Refractivity: 107.3854 cm^3
• Polarizability: 41.895153 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds