4-methyl-N-{3-[2-(morpholin-2-yl)acetamido]phenyl}benzamide

• ChemBase ID: 699906
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: C(=O)(Nc1cc(NC(=O)CC2OCCNC2)ccc1)c1ccc(cc1)C
• Canonical SMILES: O=C(Nc1cccc(c1)NC(=O)c1ccc(cc1)C)CC1OCCNC1
• InChI: InChI=1S/C20H23N3O3/c1-14-5-7-15(8-6-14)20(25)23-17-4-2-3-16(11-17)22-19(24)12-18-13-21-9-10-26-18/h2-8,11,18,21H,9-10,12-13H2,1H3,(H,22,24)(H,23,25)
• InChIKey: LHQQIVJDZIMGEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-{3-[2-(morpholin-2-yl)acetamido]phenyl}benzamide
• IUPAC Traditional name: 4-methyl-N-{3-[2-(morpholin-2-yl)acetamido]phenyl}benzamide
• Synonyms: 4-methyl-N-{3-[(morpholin-2-ylacetyl)amino]phenyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.621782
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.3637023
• LogD (pH = 7.4): 1.3251278
• Log P: 2.4029922
• Molar Refractivity: 103.0741 cm^3
• Polarizability: 38.43567 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.81
• LOG S: -3.32
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 5