N-[3-(cyclopentyloxy)propyl]-2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide

• ChemBase ID: 516066
• Molecular Formular: C14H21N3O3
• Molecular Mass: 279.33484
• Monoisotopic Mass: 279.15829155
• SMILES: c1(=O)n(CC(=O)NCCCOC2CCCC2)cccn1
• Canonical SMILES: O=C(Cn1cccnc1=O)NCCCOC1CCCC1
• InChI: InChI=1S/C14H21N3O3/c18-13(11-17-9-3-7-16-14(17)19)15-8-4-10-20-12-5-1-2-6-12/h3,7,9,12H,1-2,4-6,8,10-11H2,(H,15,18)
• InChIKey: KXPWPCDLOWFOON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-2-(2-oxo-1,2-dihydropyrimidin-1-yl)acetamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-2-(2-oxopyrimidin-1-yl)acetamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-2-(2-oxopyrimidin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.409142
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.16032763
• LogD (pH = 7.4): -0.16032752
• Log P: -0.16032752
• Molar Refractivity: 75.1011 cm^3
• Polarizability: 28.696064 Å^3
• Polar Surface Area: 71.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.03
• LOG S: -2.52
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 7