N-{[1-(ethoxymethyl)cyclobutyl]methyl}-2-(pyrrolidin-3-yl)benzamide

• ChemBase ID: 662705
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: C(=O)(c1c(C2CNCC2)cccc1)NCC1(COCC)CCC1
• Canonical SMILES: CCOCC1(CCC1)CNC(=O)c1ccccc1C1CNCC1
• InChI: InChI=1S/C19H28N2O2/c1-2-23-14-19(9-5-10-19)13-21-18(22)17-7-4-3-6-16(17)15-8-11-20-12-15/h3-4,6-7,15,20H,2,5,8-14H2,1H3,(H,21,22)
• InChIKey: MWERVEITDMABDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(ethoxymethyl)cyclobutyl]methyl}-2-(pyrrolidin-3-yl)benzamide
• IUPAC Traditional name: N-{[1-(ethoxymethyl)cyclobutyl]methyl}-2-(pyrrolidin-3-yl)benzamide
• Synonyms: N-{[1-(ethoxymethyl)cyclobutyl]methyl}-2-(3-pyrrolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.173332
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1263722
• LogD (pH = 7.4): -0.7625345
• Log P: 2.1083221
• Molar Refractivity: 92.9917 cm^3
• Polarizability: 35.940666 Å^3
• Polar Surface Area: 50.36 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: 1.77
• LOG S: -3.02
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7