N-(4-aminophenyl)oxolane-2-carboxamide

• ChemBase ID: 45534
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: C(=O)(Nc1ccc(N)cc1)C1OCCC1
• Canonical SMILES: O=C(C1CCCO1)Nc1ccc(cc1)N
• InChI: InChI=1S/C11H14N2O2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h3-6,10H,1-2,7,12H2,(H,13,14)
• InChIKey: UTTNQGIDXBLDRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)oxolane-2-carboxamide
• IUPAC Traditional name: N-(4-aminophenyl)oxolane-2-carboxamide
• Synonyms: N-(4-Aminophenyl)tetrahydro-2-furancarboxamide; N-(4-aminophenyl)tetrahydrofuran-2-carboxamide

Database IDs

• MDL Number: MFCD09045362
• PubChem SID: 162050297
• PubChem CID: 16773028

CALCULATED PROPERTIES

• Acid pKa: 14.114795
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8138353
• LogD (pH = 7.4): 0.8255114
• Log P: 0.82566243
• Molar Refractivity: 59.3611 cm^3
• Polarizability: 21.841932 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.18

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%