2-chloro-N-[3-(cyclohexyloxy)propyl]acetamide

• ChemBase ID: 260538
• Molecular Formular: C11H20ClNO2
• Molecular Mass: 233.735
• Monoisotopic Mass: 233.11825657
• SMILES: C(=O)(NCCCOC1CCCCC1)CCl
• Canonical SMILES: ClCC(=O)NCCCOC1CCCCC1
• InChI: InChI=1S/C11H20ClNO2/c12-9-11(14)13-7-4-8-15-10-5-2-1-3-6-10/h10H,1-9H2,(H,13,14)
• InChIKey: PLSADOXQFQUPHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[3-(cyclohexyloxy)propyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[3-(cyclohexyloxy)propyl]acetamide
• Synonyms: 2-chloro-N-[3-(cyclohexyloxy)propyl]acetamide

Database IDs

• MDL Number: MFCD14588092
• PubChem SID: 164316448
• PubChem CID: 50988912

CALCULATED PROPERTIES

• Acid pKa: 13.521992
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5429863
• LogD (pH = 7.4): 1.542986
• Log P: 1.5429863
• Molar Refractivity: 61.0389 cm^3
• Polarizability: 24.018658 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.119

Product Information

• Purity: 95%