N-(2-methoxyethyl)-4-({[(4-methoxypyridin-2-yl)methyl]carbamoyl}amino)-3-methylbenzamide

• ChemBase ID: 532658
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: C(=O)(Nc1c(cc(C(=O)NCCOC)cc1)C)NCc1nccc(c1)OC
• Canonical SMILES: COCCNC(=O)c1ccc(c(c1)C)NC(=O)NCc1nccc(c1)OC
• InChI: InChI=1S/C19H24N4O4/c1-13-10-14(18(24)21-8-9-26-2)4-5-17(13)23-19(25)22-12-15-11-16(27-3)6-7-20-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,24)(H2,22,23,25)
• InChIKey: CYQUFOPVXLVJCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-4-({[(4-methoxypyridin-2-yl)methyl]carbamoyl}amino)-3-methylbenzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-4-({[(4-methoxypyridin-2-yl)methyl]carbamoyl}amino)-3-methylbenzamide
• Synonyms: N-(2-methoxyethyl)-4-[({[(4-methoxypyridin-2-yl)methyl]amino}carbonyl)amino]-3-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.063244
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.7612334
• LogD (pH = 7.4): 1.066537
• Log P: 1.0724503
• Molar Refractivity: 102.9509 cm^3
• Polarizability: 38.402767 Å^3
• Polar Surface Area: 101.58 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.21
• LOG S: -2.95
• Polar Surface Area: 101.58 Å^2
• Rotatable Bonds: 8