N-cyclopentyl-N'-[2-hydroxy-3-(3-methoxyphenoxy)propyl]butanediamide

• ChemBase ID: 400518
• Molecular Formular: C19H28N2O5
• Molecular Mass: 364.43602
• Monoisotopic Mass: 364.19982201
• SMILES: C(=O)(NC1CCCC1)CCC(=O)NCC(COc1cc(OC)ccc1)O
• Canonical SMILES: COc1cccc(c1)OCC(CNC(=O)CCC(=O)NC1CCCC1)O
• InChI: InChI=1S/C19H28N2O5/c1-25-16-7-4-8-17(11-16)26-13-15(22)12-20-18(23)9-10-19(24)21-14-5-2-3-6-14/h4,7-8,11,14-15,22H,2-3,5-6,9-10,12-13H2,1H3,(H,20,23)(H,21,24)
• InChIKey: RIDXCCQJWUDUAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N'-[2-hydroxy-3-(3-methoxyphenoxy)propyl]butanediamide
• IUPAC Traditional name: N-cyclopentyl-N'-[2-hydroxy-3-(3-methoxyphenoxy)propyl]succinamide
• Synonyms: N-cyclopentyl-N'-[2-hydroxy-3-(3-methoxyphenoxy)propyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.034233
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.6457291
• LogD (pH = 7.4): 0.6457291
• Log P: 0.6457292
• Molar Refractivity: 96.3659 cm^3
• Polarizability: 37.96906 Å^3
• Polar Surface Area: 96.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.52
• LOG S: -3.16
• Polar Surface Area: 96.89 Å^2
• Rotatable Bonds: 10