N-(3-methoxypropyl)-2-(methylamino)acetamide

• ChemBase ID: 35471
• Molecular Formular: C7H16N2O2
• Molecular Mass: 160.21414
• Monoisotopic Mass: 160.12117776
• SMILES: C(=O)(NCCCOC)CNC
• Canonical SMILES: CNCC(=O)NCCCOC
• InChI: InChI=1S/C7H16N2O2/c1-8-6-7(10)9-4-3-5-11-2/h8H,3-6H2,1-2H3,(H,9,10)
• InChIKey: ZALYRJSCQYOHRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-2-(methylamino)acetamide
• IUPAC Traditional name: N-(3-methoxypropyl)-2-(methylamino)acetamide
• Synonyms: N-(3-Methoxypropyl)-2-(methylamino)acetamide

Database IDs

• MDL Number: MFCD07366463
• PubChem SID: 160998778
• PubChem CID: 7131338

CALCULATED PROPERTIES

• Acid pKa: 15.8988905
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.2563634
• LogD (pH = 7.4): -2.6999106
• Log P: -1.2851775
• Molar Refractivity: 43.4058 cm^3
• Polarizability: 17.066732 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.711

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%