N-cyclopentyl-N'-[(2,4-dimethoxyphenyl)methyl]butanediamide

• ChemBase ID: 592329
• Molecular Formular: C18H26N2O4
• Molecular Mass: 334.41004
• Monoisotopic Mass: 334.18925732
• SMILES: c1(c(cc(cc1)OC)OC)CNC(=O)CCC(=O)NC1CCCC1
• Canonical SMILES: COc1cc(OC)ccc1CNC(=O)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C18H26N2O4/c1-23-15-8-7-13(16(11-15)24-2)12-19-17(21)9-10-18(22)20-14-5-3-4-6-14/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,19,21)(H,20,22)
• InChIKey: OGGMBNAFXOWZNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N'-[(2,4-dimethoxyphenyl)methyl]butanediamide
• IUPAC Traditional name: N-cyclopentyl-N'-[(2,4-dimethoxyphenyl)methyl]succinamide
• Synonyms: N-cyclopentyl-N'-(2,4-dimethoxybenzyl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.000853
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1988163
• LogD (pH = 7.4): 1.1988164
• Log P: 1.1988164
• Molar Refractivity: 90.927 cm^3
• Polarizability: 35.48253 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.95
• LOG S: -3.3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 8