N-[1-(methoxymethyl)cyclopentyl]-2-(pyrrolidin-3-yl)benzamide

• ChemBase ID: 662625
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: C(=O)(c1c(C2CNCC2)cccc1)NC1(COC)CCCC1
• Canonical SMILES: COCC1(CCCC1)NC(=O)c1ccccc1C1CNCC1
• InChI: InChI=1S/C18H26N2O2/c1-22-13-18(9-4-5-10-18)20-17(21)16-7-3-2-6-15(16)14-8-11-19-12-14/h2-3,6-7,14,19H,4-5,8-13H2,1H3,(H,20,21)
• InChIKey: JKAOWPHTGLQGDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(methoxymethyl)cyclopentyl]-2-(pyrrolidin-3-yl)benzamide
• IUPAC Traditional name: N-[1-(methoxymethyl)cyclopentyl]-2-(pyrrolidin-3-yl)benzamide
• Synonyms: N-[1-(methoxymethyl)cyclopentyl]-2-(3-pyrrolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.344046
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2171804
• LogD (pH = 7.4): -0.853115
• Log P: 2.0175073
• Molar Refractivity: 88.1224 cm^3
• Polarizability: 34.098137 Å^3
• Polar Surface Area: 50.36 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: 1.45
• LOG S: -2.64
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5