N-(furan-2-ylmethyl)-N-{2-[4-(3-methylbutyl)-2-(propan-2-yl)oxan-4-yl]ethyl}acetamide

• ChemBase ID: 202678
• Molecular Formular: C22H37NO3
• Molecular Mass: 363.53408
• Monoisotopic Mass: 363.27734405
• SMILES: N(C(=O)C)(Cc1occc1)CCC1(CC(OCC1)C(C)C)CCC(C)C
• Canonical SMILES: CC(CCC1(CCOC(C1)C(C)C)CCN(C(=O)C)Cc1ccco1)C
• InChI: InChI=1S/C22H37NO3/c1-17(2)8-9-22(11-14-26-21(15-22)18(3)4)10-12-23(19(5)24)16-20-7-6-13-25-20/h6-7,13,17-18,21H,8-12,14-16H2,1-5H3
• InChIKey: VZERSZHVJOABSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-{2-[4-(3-methylbutyl)-2-(propan-2-yl)oxan-4-yl]ethyl}acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-{2-[2-isopropyl-4-(3-methylbutyl)oxan-4-yl]ethyl}acetamide

Database IDs

• PubChem SID: 164258588
• PubChem CID: 4679007

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2150273
• LogD (pH = 7.4): 4.215028
• Log P: 4.215028
• Molar Refractivity: 105.4754 cm^3
• Polarizability: 41.50804 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds