3-acetamido-N-[2-(3-phenylpropoxy)phenyl]propanamide

• ChemBase ID: 470629
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: N(C(=O)CCNC(=O)C)c1c(OCCCc2ccccc2)cccc1
• Canonical SMILES: O=C(Nc1ccccc1OCCCc1ccccc1)CCNC(=O)C
• InChI: InChI=1S/C20H24N2O3/c1-16(23)21-14-13-20(24)22-18-11-5-6-12-19(18)25-15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,21,23)(H,22,24)
• InChIKey: UDKCVWTULPNQSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-acetamido-N-[2-(3-phenylpropoxy)phenyl]propanamide
• IUPAC Traditional name: 3-acetamido-N-[2-(3-phenylpropoxy)phenyl]propanamide
• Synonyms: 3-(acetylamino)-N-[2-(3-phenylpropoxy)phenyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.4448595
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6427174
• LogD (pH = 7.4): 2.6427138
• Log P: 2.6427174
• Molar Refractivity: 98.8557 cm^3
• Polarizability: 37.659794 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.45
• LOG S: -3.77
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 9