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

• ChemBase ID: 749954
• Molecular Formular: C19H28N2O4
• Molecular Mass: 348.43662
• Monoisotopic Mass: 348.20490739
• SMILES: C(=O)(N(CCCC1OCCC1)C)COc1cc(NC(=O)CC)ccc1
• Canonical SMILES: CCC(=O)Nc1cccc(c1)OCC(=O)N(CCCC1CCCO1)C
• InChI: InChI=1S/C19H28N2O4/c1-3-18(22)20-15-7-4-8-17(13-15)25-14-19(23)21(2)11-5-9-16-10-6-12-24-16/h4,7-8,13,16H,3,5-6,9-12,14H2,1-2H3,(H,20,22)
• InChIKey: SJGYHDURSUBCJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.791374
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8681251
• LogD (pH = 7.4): 1.8681248
• Log P: 1.8681251
• Molar Refractivity: 97.476 cm^3
• Polarizability: 37.32659 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.84
• LOG S: -3.31
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 9