2-methyl-N-(morpholin-2-ylmethyl)-1-benzofuran-5-carboxamide

• ChemBase ID: 470170
• Molecular Formular: C15H18N2O3
• Molecular Mass: 274.31502
• Monoisotopic Mass: 274.13174245
• SMILES: c12cc(oc1ccc(C(=O)NCC1OCCNC1)c2)C
• Canonical SMILES: Cc1oc2c(c1)cc(cc2)C(=O)NCC1CNCCO1
• InChI: InChI=1S/C15H18N2O3/c1-10-6-12-7-11(2-3-14(12)20-10)15(18)17-9-13-8-16-4-5-19-13/h2-3,6-7,13,16H,4-5,8-9H2,1H3,(H,17,18)
• InChIKey: MSFKLVWMSLKALD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-(morpholin-2-ylmethyl)-1-benzofuran-5-carboxamide
• IUPAC Traditional name: 2-methyl-N-(morpholin-2-ylmethyl)-1-benzofuran-5-carboxamide
• Synonyms: 2-methyl-N-(morpholin-2-ylmethyl)-1-benzofuran-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.795985
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8182586
• LogD (pH = 7.4): -0.109079495
• Log P: 0.8831101
• Molar Refractivity: 75.493 cm^3
• Polarizability: 29.996397 Å^3
• Polar Surface Area: 63.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.67
• LOG S: -1.77
• Polar Surface Area: 63.5 Å^2
• Rotatable Bonds: 3