N-[(2,2-dimethyloxan-4-yl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]furan-2-carboxamide

• ChemBase ID: 197353
• Molecular Formular: C23H33NO4
• Molecular Mass: 387.51242
• Monoisotopic Mass: 387.24095854
• SMILES: C(=O)(N(CC1CC(OCC1)(C)C)CCC(c1occc1)C(C)C)c1occc1
• Canonical SMILES: CC(C(c1ccco1)CCN(C(=O)c1ccco1)CC1CCOC(C1)(C)C)C
• InChI: InChI=1S/C23H33NO4/c1-17(2)19(20-7-5-12-26-20)9-11-24(22(25)21-8-6-13-27-21)16-18-10-14-28-23(3,4)15-18/h5-8,12-13,17-19H,9-11,14-16H2,1-4H3
• InChIKey: HRBJKSOWVORBJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,2-dimethyloxan-4-yl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]furan-2-carboxamide
• IUPAC Traditional name: N-[(2,2-dimethyloxan-4-yl)methyl]-N-[3-(furan-2-yl)-4-methylpentyl]furan-2-carboxamide

Database IDs

• PubChem SID: 164253263
• PubChem CID: 3792654

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9090261
• LogD (pH = 7.4): 3.9090261
• Log P: 3.9090261
• Molar Refractivity: 109.8059 cm^3
• Polarizability: 42.240467 Å^3
• Polar Surface Area: 55.82 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds