N,N-dimethyloxane-4-carboxamide

• ChemBase ID: 242138
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C(=O)(N(C)C)C1CCOCC1
• Canonical SMILES: CN(C(=O)C1CCOCC1)C
• InChI: InChI=1S/C8H15NO2/c1-9(2)8(10)7-3-5-11-6-4-7/h7H,3-6H2,1-2H3
• InChIKey: SKBXXZBWCIRDFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyloxane-4-carboxamide
• IUPAC Traditional name: N,N-dimethyloxane-4-carboxamide
• Synonyms: N,N-dimethyloxane-4-carboxamide

Database IDs

• MDL Number: MFCD09965503
• PubChem SID: 164298048
• PubChem CID: 23091622

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.1619311
• LogD (pH = 7.4): -0.16193041
• Log P: -0.1619304
• Molar Refractivity: 43.01 cm^3
• Polarizability: 16.65312 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.17

Product Information

• Purity: 95%