2-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}amino)acetamide

• ChemBase ID: 181631
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: c1(cc(c(cc1)OC)OC)C1(CNCC(=O)N)CCCC1
• Canonical SMILES: COc1cc(ccc1OC)C1(CNCC(=O)N)CCCC1
• InChI: InChI=1S/C16H24N2O3/c1-20-13-6-5-12(9-14(13)21-2)16(7-3-4-8-16)11-18-10-15(17)19/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3,(H2,17,19)
• InChIKey: GPRYDLWCWIFYLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}amino)acetamide
• IUPAC Traditional name: 2-({[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}amino)acetamide

Database IDs

• PubChem SID: 164237541
• PubChem CID: 609631

CALCULATED PROPERTIES

• Acid pKa: 15.69363
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5747168
• LogD (pH = 7.4): 0.02927634
• Log P: 1.3443391
• Molar Refractivity: 81.1637 cm^3
• Polarizability: 32.02478 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds