N-(2-methoxy-5-{[(2-propoxypropyl)carbamoyl]amino}phenyl)acetamide

• ChemBase ID: 554449
• Molecular Formular: C16H25N3O4
• Molecular Mass: 323.3874
• Monoisotopic Mass: 323.1845063
• SMILES: C(=O)(Nc1cc(NC(=O)C)c(cc1)OC)NCC(OCCC)C
• Canonical SMILES: CCCOC(CNC(=O)Nc1ccc(c(c1)NC(=O)C)OC)C
• InChI: InChI=1S/C16H25N3O4/c1-5-8-23-11(2)10-17-16(21)19-13-6-7-15(22-4)14(9-13)18-12(3)20/h6-7,9,11H,5,8,10H2,1-4H3,(H,18,20)(H2,17,19,21)
• InChIKey: LQHWXVOPBKJPBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxy-5-{[(2-propoxypropyl)carbamoyl]amino}phenyl)acetamide
• IUPAC Traditional name: N-(2-methoxy-5-{[(2-propoxypropyl)carbamoyl]amino}phenyl)acetamide
• Synonyms: N-[2-methoxy-5-({[(2-propoxypropyl)amino]carbonyl}amino)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.417469
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.4300556
• LogD (pH = 7.4): 1.4300517
• Log P: 1.4300557
• Molar Refractivity: 90.5555 cm^3
• Polarizability: 33.6757 Å^3
• Polar Surface Area: 88.69 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: 1.57
• LOG S: -2.9
• Polar Surface Area: 88.69 Å^2
• Rotatable Bonds: 8