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

• ChemBase ID: 611548
• Molecular Formular: C18H27N3O4
• Molecular Mass: 349.42468
• Monoisotopic Mass: 349.20015636
• SMILES: c1(c(NC(=O)NCCCC2COCC2)cccc1NC(=O)COC)C
• Canonical SMILES: COCC(=O)Nc1cccc(c1C)NC(=O)NCCCC1COCC1
• InChI: InChI=1S/C18H27N3O4/c1-13-15(20-17(22)12-24-2)6-3-7-16(13)21-18(23)19-9-4-5-14-8-10-25-11-14/h3,6-7,14H,4-5,8-12H2,1-2H3,(H,20,22)(H2,19,21,23)
• InChIKey: MJEZSRLZRRMZGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.816993
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.5444524
• LogD (pH = 7.4): 1.5444509
• Log P: 1.5444524
• Molar Refractivity: 98.7465 cm^3
• Polarizability: 36.567104 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: 1.42
• LOG S: -2.96
• Polar Surface Area: 88.69 Å^2
• Rotatable Bonds: 8