2-chloro-N-(3-ethoxypropyl)propanamide

• ChemBase ID: 253836
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C(=O)(NCCCOCC)C(Cl)C
• Canonical SMILES: CCOCCCNC(=O)C(Cl)C
• InChI: InChI=1S/C8H16ClNO2/c1-3-12-6-4-5-10-8(11)7(2)9/h7H,3-6H2,1-2H3,(H,10,11)
• InChIKey: CQPGKVZFMFMVBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(3-ethoxypropyl)propanamide
• IUPAC Traditional name: 2-chloro-N-(3-ethoxypropyl)propanamide
• Synonyms: 2-chloro-N-(3-ethoxypropyl)propanamide

Database IDs

• MDL Number: MFCD09939950
• PubChem SID: 164309746
• PubChem CID: 24700913

CALCULATED PROPERTIES

• Acid pKa: 13.355839
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.669288
• LogD (pH = 7.4): 0.66928756
• Log P: 0.669288
• Molar Refractivity: 49.2672 cm^3
• Polarizability: 19.244522 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.146

Product Information

• Purity: 95%