N-[3-(cyclopentyloxy)propyl]-2,3-dihydro-1H-indene-1-carboxamide

• ChemBase ID: 500628
• Molecular Formular: C18H25NO2
• Molecular Mass: 287.3966
• Monoisotopic Mass: 287.18852905
• SMILES: C1(c2c(CC1)cccc2)C(=O)NCCCOC1CCCC1
• Canonical SMILES: O=C(C1CCc2c1cccc2)NCCCOC1CCCC1
• InChI: InChI=1S/C18H25NO2/c20-18(17-11-10-14-6-1-4-9-16(14)17)19-12-5-13-21-15-7-2-3-8-15/h1,4,6,9,15,17H,2-3,5,7-8,10-13H2,(H,19,20)
• InChIKey: KYKBRFUNXMFHKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-2,3-dihydro-1H-indene-1-carboxamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-2,3-dihydro-1H-indene-1-carboxamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]indane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.879766
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9880953
• LogD (pH = 7.4): 2.9880955
• Log P: 2.9880955
• Molar Refractivity: 84.2201 cm^3
• Polarizability: 32.86624 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.01
• LOG S: -3.87
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6