2-(dibutylamino)-2-(4-methoxyphenyl)acetamide

• ChemBase ID: 125785
• Molecular Formular: C17H28N2O2
• Molecular Mass: 292.41642
• Monoisotopic Mass: 292.21507815
• SMILES: O=C(N)C(c1ccc(OC)cc1)N(CCCC)CCCC
• Canonical SMILES: CCCCN(C(c1ccc(cc1)OC)C(=O)N)CCCC
• InChI: InChI=1S/C17H28N2O2/c1-4-6-12-19(13-7-5-2)16(17(18)20)14-8-10-15(21-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H2,18,20)
• InChIKey: WUSAVCGXMSWMQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dibutylamino)-2-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: ambucetamide
• Synonyms: Ambucetamide

Database IDs

• CAS Number: 519-88-0
• PubChem SID: 162220132
• PubChem CID: 10616
• Chemspider ID: 10171
• Unique Ingredient Identifier: 131B408RZI
• Wikipedia Title: Ambucetamide

CALCULATED PROPERTIES

• Acid pKa: 16.215809
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5231516
• LogD (pH = 7.4): 2.2911713
• Log P: 3.2877662
• Molar Refractivity: 86.4632 cm^3
• Polarizability: 33.99589 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true