N-[1-(methoxymethyl)cyclopentyl]-2-(morpholin-2-yl)acetamide

• ChemBase ID: 483528
• Molecular Formular: C13H24N2O3
• Molecular Mass: 256.34126
• Monoisotopic Mass: 256.17869264
• SMILES: C(=O)(CC1OCCNC1)NC1(COC)CCCC1
• Canonical SMILES: COCC1(CCCC1)NC(=O)CC1CNCCO1
• InChI: InChI=1S/C13H24N2O3/c1-17-10-13(4-2-3-5-13)15-12(16)8-11-9-14-6-7-18-11/h11,14H,2-10H2,1H3,(H,15,16)
• InChIKey: VBRGGCJVDZXJES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(methoxymethyl)cyclopentyl]-2-(morpholin-2-yl)acetamide
• IUPAC Traditional name: N-[1-(methoxymethyl)cyclopentyl]-2-(morpholin-2-yl)acetamide
• Synonyms: N-[1-(methoxymethyl)cyclopentyl]-2-morpholin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.325225
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.7550879
• LogD (pH = 7.4): -1.0662597
• Log P: 0.011612715
• Molar Refractivity: 68.2873 cm^3
• Polarizability: 27.356264 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.01
• LOG S: -1.52
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 5