4-[(dimethylamino)methyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide

• ChemBase ID: 690632
• Molecular Formular: C17H26N2O2
• Molecular Mass: 290.40054
• Monoisotopic Mass: 290.19942808
• SMILES: C(=O)(NC1(COC)CCCC1)c1ccc(CN(C)C)cc1
• Canonical SMILES: COCC1(CCCC1)NC(=O)c1ccc(cc1)CN(C)C
• InChI: InChI=1S/C17H26N2O2/c1-19(2)12-14-6-8-15(9-7-14)16(20)18-17(13-21-3)10-4-5-11-17/h6-9H,4-5,10-13H2,1-3H3,(H,18,20)
• InChIKey: FQFOCMWJEXGFHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(dimethylamino)methyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide
• IUPAC Traditional name: 4-[(dimethylamino)methyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide
• Synonyms: 4-[(dimethylamino)methyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.093563
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.74813914
• LogD (pH = 7.4): 0.9783933
• Log P: 2.220454
• Molar Refractivity: 85.9221 cm^3
• Polarizability: 33.06025 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.76
• LOG S: -2.82
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6