N-[1-(2-methoxyphenoxy)propan-2-yl]-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 512958
• Molecular Formular: C17H26N2O4
• Molecular Mass: 322.39934
• Monoisotopic Mass: 322.18925732
• SMILES: N1(OCCCC1)CCC(=O)NC(COc1c(OC)cccc1)C
• Canonical SMILES: COc1ccccc1OCC(NC(=O)CCN1CCCCO1)C
• InChI: InChI=1S/C17H26N2O4/c1-14(13-22-16-8-4-3-7-15(16)21-2)18-17(20)9-11-19-10-5-6-12-23-19/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,18,20)
• InChIKey: BSSCBGZCWHDOQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methoxyphenoxy)propan-2-yl]-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-[1-(2-methoxyphenoxy)propan-2-yl]-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-[2-(2-methoxyphenoxy)-1-methylethyl]-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.399358
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2431082
• LogD (pH = 7.4): 1.2437072
• Log P: 1.2437148
• Molar Refractivity: 87.4184 cm^3
• Polarizability: 34.649193 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.45
• LOG S: -3.64
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 8