phenyl N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)carbamate

• ChemBase ID: 221311
• Molecular Formular: C19H23NO4
• Molecular Mass: 329.39022
• Monoisotopic Mass: 329.16270822
• SMILES: C(=O)(N(C1CC(OCC1)(C)C)Cc1occc1)Oc1ccccc1
• Canonical SMILES: O=C(N(C1CCOC(C1)(C)C)Cc1ccco1)Oc1ccccc1
• InChI: InChI=1S/C19H23NO4/c1-19(2)13-15(10-12-23-19)20(14-17-9-6-11-22-17)18(21)24-16-7-4-3-5-8-16/h3-9,11,15H,10,12-14H2,1-2H3
• InChIKey: ASGSARYRWXVQDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)carbamate
• IUPAC Traditional name: phenyl N-(2,2-dimethyloxan-4-yl)-N-(furan-2-ylmethyl)carbamate

Database IDs

• PubChem SID: 164277221
• PubChem CID: 42648773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1373708
• LogD (pH = 7.4): 3.1373708
• Log P: 3.1373708
• Molar Refractivity: 90.1965 cm^3
• Polarizability: 35.208046 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds