2-chloro-N-(2-methoxyethyl)-N-(pentan-3-yl)acetamide

• ChemBase ID: 260715
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: C(=O)(N(C(CC)CC)CCOC)CCl
• Canonical SMILES: COCCN(C(=O)CCl)C(CC)CC
• InChI: InChI=1S/C10H20ClNO2/c1-4-9(5-2)12(6-7-14-3)10(13)8-11/h9H,4-8H2,1-3H3
• InChIKey: UBCJBDPAWFTTIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-methoxyethyl)-N-(pentan-3-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-methoxyethyl)-N-(pentan-3-yl)acetamide
• Synonyms: 2-chloro-N-(2-methoxyethyl)-N-(pentan-3-yl)acetamide

Database IDs

• MDL Number: MFCD12762692
• PubChem SID: 164316625
• PubChem CID: 60810335

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7258599
• LogD (pH = 7.4): 1.7258599
• Log P: 1.7258599
• Molar Refractivity: 58.2714 cm^3
• Polarizability: 22.902544 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.128

Product Information

• Purity: 95%