2-methoxy-N-[2-methyl-3-({[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]carbamoyl}amino)phenyl]acetamide

• ChemBase ID: 697827
• Molecular Formular: C19H27N5O3
• Molecular Mass: 373.44938
• Monoisotopic Mass: 373.21138975
• SMILES: c1(n(ccn1)C)C(NC(=O)Nc1c(c(NC(=O)COC)ccc1)C)C(C)C
• Canonical SMILES: COCC(=O)Nc1cccc(c1C)NC(=O)NC(c1nccn1C)C(C)C
• InChI: InChI=1S/C19H27N5O3/c1-12(2)17(18-20-9-10-24(18)4)23-19(26)22-15-8-6-7-14(13(15)3)21-16(25)11-27-5/h6-10,12,17H,11H2,1-5H3,(H,21,25)(H2,22,23,26)
• InChIKey: OGFSLXBBYJHGNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[2-methyl-3-({[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]carbamoyl}amino)phenyl]acetamide
• IUPAC Traditional name: 2-methoxy-N-[2-methyl-3-({[2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoyl}amino)phenyl]acetamide
• Synonyms: 2-methoxy-N-{2-methyl-3-[({[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]amino}carbonyl)amino]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.80044
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.5309392
• LogD (pH = 7.4): 2.0223517
• Log P: 2.0372021
• Molar Refractivity: 106.1326 cm^3
• Polarizability: 39.239017 Å^3
• Polar Surface Area: 97.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.84
• LOG S: -3.49
• Polar Surface Area: 97.28 Å^2
• Rotatable Bonds: 7