N-cyclopentyl-N'-[3-(2-methoxybenzamido)phenyl]ethanediamide

• ChemBase ID: 570646
• Molecular Formular: C21H23N3O4
• Molecular Mass: 381.42502
• Monoisotopic Mass: 381.16885623
• SMILES: C(=O)(c1c(OC)cccc1)Nc1cc(NC(=O)C(=O)NC2CCCC2)ccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)C(=O)NC1CCCC1
• InChI: InChI=1S/C21H23N3O4/c1-28-18-12-5-4-11-17(18)19(25)23-15-9-6-10-16(13-15)24-21(27)20(26)22-14-7-2-3-8-14/h4-6,9-14H,2-3,7-8H2,1H3,(H,22,26)(H,23,25)(H,24,27)
• InChIKey: NWSVSYJYLMYZTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N'-[3-(2-methoxybenzamido)phenyl]ethanediamide
• IUPAC Traditional name: N-cyclopentyl-N'-[3-(2-methoxybenzamido)phenyl]ethanediamide
• Synonyms: N-cyclopentyl-N'-{3-[(2-methoxybenzoyl)amino]phenyl}ethanediamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.0646925
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.876198
• LogD (pH = 7.4): 2.8761106
• Log P: 2.8761992
• Molar Refractivity: 107.8447 cm^3
• Polarizability: 40.037987 Å^3
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.96
• LOG S: -3.66
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 6