N-[cyclopropyl(4-methoxyphenyl)methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

• ChemBase ID: 601039
• Molecular Formular: C21H26N2O4
• Molecular Mass: 370.44214
• Monoisotopic Mass: 370.18925732
• SMILES: c1(C(=O)NC(C2CC2)c2ccc(cc2)OC)cc(oc1)CN1CCOCC1
• Canonical SMILES: COc1ccc(cc1)C(C1CC1)NC(=O)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C21H26N2O4/c1-25-18-6-4-16(5-7-18)20(15-2-3-15)22-21(24)17-12-19(27-14-17)13-23-8-10-26-11-9-23/h4-7,12,14-15,20H,2-3,8-11,13H2,1H3,(H,22,24)
• InChIKey: SXUWQBLVAXIGLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(4-methoxyphenyl)methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• IUPAC Traditional name: N-[cyclopropyl(4-methoxyphenyl)methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• Synonyms: N-[cyclopropyl(4-methoxyphenyl)methyl]-5-(4-morpholinylmethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.021754
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9070135
• LogD (pH = 7.4): 2.2316492
• Log P: 2.2378514
• Molar Refractivity: 102.7292 cm^3
• Polarizability: 39.480125 Å^3
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.9
• LOG S: -3.52
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 7