N-(furan-2-ylmethyl)-2-(morpholin-4-yl)-N-(prop-2-yn-1-yl)benzamide

• ChemBase ID: 571005
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: c1(C(=O)N(Cc2occc2)CC#C)c(N2CCOCC2)cccc1
• Canonical SMILES: C#CCN(C(=O)c1ccccc1N1CCOCC1)Cc1ccco1
• InChI: InChI=1S/C19H20N2O3/c1-2-9-21(15-16-6-5-12-24-16)19(22)17-7-3-4-8-18(17)20-10-13-23-14-11-20/h1,3-8,12H,9-11,13-15H2
• InChIKey: YBSVCQULVIIWNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(morpholin-4-yl)-N-(prop-2-yn-1-yl)benzamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(morpholin-4-yl)-N-(prop-2-yn-1-yl)benzamide
• Synonyms: N-(2-furylmethyl)-2-morpholin-4-yl-N-prop-2-yn-1-ylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1735842
• LogD (pH = 7.4): 2.1735845
• Log P: 2.1735845
• Molar Refractivity: 93.0166 cm^3
• Polarizability: 34.36213 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.7
• LOG S: -3.87
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6