N-benzyl-2-(morpholin-4-yl)-2-oxo-N-(prop-2-en-1-yl)acetamide

• ChemBase ID: 707064
• Molecular Formular: C16H20N2O3
• Molecular Mass: 288.3416
• Monoisotopic Mass: 288.14739251
• SMILES: C(=O)(C(=O)N(Cc1ccccc1)CC=C)N1CCOCC1
• Canonical SMILES: C=CCN(C(=O)C(=O)N1CCOCC1)Cc1ccccc1
• InChI: InChI=1S/C16H20N2O3/c1-2-8-18(13-14-6-4-3-5-7-14)16(20)15(19)17-9-11-21-12-10-17/h2-7H,1,8-13H2
• InChIKey: GDECWBXNBVUXFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(morpholin-4-yl)-2-oxo-N-(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: N-benzyl-2-(morpholin-4-yl)-2-oxo-N-(prop-2-en-1-yl)acetamide
• Synonyms: N-allyl-N-benzyl-2-morpholin-4-yl-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.25429
• LogD (pH = 7.4): 1.25429
• Log P: 1.25429
• Molar Refractivity: 80.5196 cm^3
• Polarizability: 30.885572 Å^3
• Polar Surface Area: 49.85 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: 0.5
• LOG S: -1.73
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5