N-[1-(methoxymethyl)cyclopentyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 536708
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NC2(COC)CCCC2)ccc1C
• Canonical SMILES: COCC1(CCCC1)NC(=O)c1ccc(c(c1)N1CCNC1=O)C
• InChI: InChI=1S/C18H25N3O3/c1-13-5-6-14(11-15(13)21-10-9-19-17(21)23)16(22)20-18(12-24-2)7-3-4-8-18/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,19,23)(H,20,22)
• InChIKey: GLLVQYUSALBEKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(methoxymethyl)cyclopentyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[1-(methoxymethyl)cyclopentyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[1-(methoxymethyl)cyclopentyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.955825
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6128604
• LogD (pH = 7.4): 1.6128607
• Log P: 1.6128607
• Molar Refractivity: 92.0039 cm^3
• Polarizability: 34.92733 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.83
• LOG S: -2.33
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5