N-(2-methoxyethyl)-3-(1,2-oxazinan-2-yl)-N-(3-phenylprop-2-yn-1-yl)propanamide

• ChemBase ID: 679568
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: C(=O)(CCN1OCCCC1)N(CC#Cc1ccccc1)CCOC
• Canonical SMILES: COCCN(C(=O)CCN1CCCCO1)CC#Cc1ccccc1
• InChI: InChI=1S/C19H26N2O3/c1-23-17-15-20(12-7-10-18-8-3-2-4-9-18)19(22)11-14-21-13-5-6-16-24-21/h2-4,8-9H,5-6,11-17H2,1H3
• InChIKey: ZHFSDWNSWOFGBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-(1,2-oxazinan-2-yl)-N-(3-phenylprop-2-yn-1-yl)propanamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-(1,2-oxazinan-2-yl)-N-(3-phenylprop-2-yn-1-yl)propanamide
• Synonyms: N-(2-methoxyethyl)-3-(1,2-oxazinan-2-yl)-N-(3-phenylprop-2-yn-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7151954
• LogD (pH = 7.4): 1.7157718
• Log P: 1.7157791
• Molar Refractivity: 92.1689 cm^3
• Polarizability: 36.55176 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -3.91
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 9