N-[3-(cyclopentyloxy)propyl]-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 481931
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCCOC2CCCC2)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)NCCCOC1CCCC1
• InChI: InChI=1S/C18H25N3O3/c22-17(19-9-4-12-24-16-7-1-2-8-16)14-5-3-6-15(13-14)21-11-10-20-18(21)23/h3,5-6,13,16H,1-2,4,7-12H2,(H,19,22)(H,20,23)
• InChIKey: GRDYORWIGRVNBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.596305
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.23563
• LogD (pH = 7.4): 1.2356303
• Log P: 1.2356303
• Molar Refractivity: 91.9385 cm^3
• Polarizability: 35.002106 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.95
• LOG S: -2.43
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 7