(2S)-N-(4-methoxy-3-pentanamidophenyl)oxolane-2-carboxamide

• ChemBase ID: 757299
• Molecular Formular: C17H24N2O4
• Molecular Mass: 320.38346
• Monoisotopic Mass: 320.17360726
• SMILES: C(=O)(Nc1cc(NC(=O)CCCC)c(cc1)OC)[C@H]1OCCC1
• Canonical SMILES: CCCCC(=O)Nc1cc(ccc1OC)NC(=O)[C@@H]1CCCO1
• InChI: InChI=1S/C17H24N2O4/c1-3-4-7-16(20)19-13-11-12(8-9-14(13)22-2)18-17(21)15-6-5-10-23-15/h8-9,11,15H,3-7,10H2,1-2H3,(H,18,21)(H,19,20)/t15-/m0/s1
• InChIKey: IJICXLRJIZFXBA-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N-(4-methoxy-3-pentanamidophenyl)oxolane-2-carboxamide
• IUPAC Traditional name: (2S)-N-(4-methoxy-3-pentanamidophenyl)oxolane-2-carboxamide
• Synonyms: (2S)-N-[4-methoxy-3-(pentanoylamino)phenyl]tetrahydrofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.252544
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.3243005
• LogD (pH = 7.4): 2.3242948
• Log P: 2.3243008
• Molar Refractivity: 89.8158 cm^3
• Polarizability: 33.642002 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.55
• LOG S: -2.86
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7