[(2E)-3-(furan-2-yl)prop-2-en-1-yl](furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amine

• ChemBase ID: 639385
• Molecular Formular: C18H24N2O3
• Molecular Mass: 316.39476
• Monoisotopic Mass: 316.17869264
• SMILES: c1(occc1)/C=C/CN(Cc1occc1)CCN1CCOCC1
• Canonical SMILES: O1CCN(CC1)CCN(Cc1ccco1)C/C=C/c1ccco1
• InChI: InChI=1S/C18H24N2O3/c1(4-17-5-2-12-22-17)7-20(16-18-6-3-13-23-18)9-8-19-10-14-21-15-11-19/h1-6,12-13H,7-11,14-16H2/b4-1+
• InChIKey: MGWUKNUSYMIAKG-DAFODLJHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2E)-3-(furan-2-yl)prop-2-en-1-yl](furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amine
• IUPAC Traditional name: [(2E)-3-(furan-2-yl)prop-2-en-1-yl](furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]amine
• Synonyms: (2-furylmethyl)[(2E)-3-(2-furyl)prop-2-en-1-yl](2-morpholin-4-ylethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.10167886
• LogD (pH = 7.4): 1.6308504
• Log P: 2.1696687
• Molar Refractivity: 91.4073 cm^3
• Polarizability: 34.9141 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.05
• LOG S: -3.11
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 8