2-chloro-N-(cyclohex-1-en-1-yl)-N-(2-methoxyethyl)acetamide

• ChemBase ID: 249178
• Molecular Formular: C11H18ClNO2
• Molecular Mass: 231.71912
• Monoisotopic Mass: 231.1026065
• SMILES: N(C(=O)CCl)(C1=CCCCC1)CCOC
• Canonical SMILES: COCCN(C1=CCCCC1)C(=O)CCl
• InChI: InChI=1S/C11H18ClNO2/c1-15-8-7-13(11(14)9-12)10-5-3-2-4-6-10/h5H,2-4,6-9H2,1H3
• InChIKey: SGEFBBCYMOOPBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(cyclohex-1-en-1-yl)-N-(2-methoxyethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(cyclohex-1-en-1-yl)-N-(2-methoxyethyl)acetamide
• Synonyms: 2-chloro-N-cyclohex-1-en-1-yl-N-(2-methoxyethyl)acetamide

Database IDs

• MDL Number: MFCD06655627
• PubChem SID: 164305088
• PubChem CID: 4962197

CALCULATED PROPERTIES

• Acid pKa: 19.047676
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.374446
• LogD (pH = 7.4): 1.374446
• Log P: 1.374446
• Molar Refractivity: 62.5636 cm^3
• Polarizability: 23.771389 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.585

Product Information

• Purity: 95%