2-(morpholin-2-yl)-N-(3-phenylprop-2-yn-1-yl)-N-propylacetamide

• ChemBase ID: 694843
• Molecular Formular: C18H24N2O2
• Molecular Mass: 300.39536
• Monoisotopic Mass: 300.18377802
• SMILES: C(=O)(CC1OCCNC1)N(CC#Cc1ccccc1)CCC
• Canonical SMILES: CCCN(C(=O)CC1CNCCO1)CC#Cc1ccccc1
• InChI: InChI=1S/C18H24N2O2/c1-2-11-20(12-6-9-16-7-4-3-5-8-16)18(21)14-17-15-19-10-13-22-17/h3-5,7-8,17,19H,2,10-15H2,1H3
• InChIKey: QICVJOUAEUWHDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-2-yl)-N-(3-phenylprop-2-yn-1-yl)-N-propylacetamide
• IUPAC Traditional name: 2-(morpholin-2-yl)-N-(3-phenylprop-2-yn-1-yl)-N-propylacetamide
• Synonyms: 2-morpholin-2-yl-N-(3-phenylprop-2-yn-1-yl)-N-propylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.68525535
• LogD (pH = 7.4): 1.0035743
• Log P: 2.0814412
• Molar Refractivity: 85.3548 cm^3
• Polarizability: 34.01943 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.0
• LOG S: -3.1
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7