2-acetamido-N-[4-methoxy-2-(2-methylpropanamido)phenyl]pentanamide

• ChemBase ID: 742763
• Molecular Formular: C18H27N3O4
• Molecular Mass: 349.42468
• Monoisotopic Mass: 349.20015636
• SMILES: C(=O)(Nc1c(NC(=O)C(C)C)cc(cc1)OC)C(NC(=O)C)CCC
• Canonical SMILES: CCCC(C(=O)Nc1ccc(cc1NC(=O)C(C)C)OC)NC(=O)C
• InChI: InChI=1S/C18H27N3O4/c1-6-7-15(19-12(4)22)18(24)20-14-9-8-13(25-5)10-16(14)21-17(23)11(2)3/h8-11,15H,6-7H2,1-5H3,(H,19,22)(H,20,24)(H,21,23)
• InChIKey: ZGZUQKTXZUVXDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-acetamido-N-[4-methoxy-2-(2-methylpropanamido)phenyl]pentanamide
• IUPAC Traditional name: 2-acetamido-N-[4-methoxy-2-(2-methylpropanamido)phenyl]pentanamide
• Synonyms: 2-(acetylamino)-N-[2-(isobutyrylamino)-4-methoxyphenyl]pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.128458
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.9650893
• LogD (pH = 7.4): 1.9650819
• Log P: 1.9650894
• Molar Refractivity: 97.871 cm^3
• Polarizability: 36.73237 Å^3
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.35
• LOG S: -2.9
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 8