tert-butyl N-[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamate

• ChemBase ID: 247994
• Molecular Formular: C14H23NO4
• Molecular Mass: 269.33672
• Monoisotopic Mass: 269.16270822
• SMILES: c1(oc(cc1)C)C(NC(=O)OC(C)(C)C)CCOC
• Canonical SMILES: COCCC(c1ccc(o1)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C14H23NO4/c1-10-6-7-12(18-10)11(8-9-17-5)15-13(16)19-14(2,3)4/h6-7,11H,8-9H2,1-5H3,(H,15,16)
• InChIKey: FOQBCEGCEOQFOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamate
• IUPAC Traditional name: tert-butyl N-[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamate
• Synonyms: tert-butyl N-[3-methoxy-1-(5-methylfuran-2-yl)propyl]carbamate

Database IDs

• PubChem SID: 164303904
• PubChem CID: 71758355

CALCULATED PROPERTIES

• Acid pKa: 13.549664
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9236709
• LogD (pH = 7.4): 1.9236706
• Log P: 1.9236709
• Molar Refractivity: 72.5241 cm^3
• Polarizability: 28.15398 Å^3
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.771

Product Information

• Purity: 95%