1-(methoxymethyl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]cyclobutane-1-carboxamide

• ChemBase ID: 663266
• Molecular Formular: C13H22N2O4
• Molecular Mass: 270.32478
• Monoisotopic Mass: 270.15795719
• SMILES: C1(=O)N(CCNC(=O)C2(COC)CCC2)CCCO1
• Canonical SMILES: COCC1(CCC1)C(=O)NCCN1CCCOC1=O
• InChI: InChI=1S/C13H22N2O4/c1-18-10-13(4-2-5-13)11(16)14-6-8-15-7-3-9-19-12(15)17/h2-10H2,1H3,(H,14,16)
• InChIKey: COTFTTBAZFSEOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]cyclobutane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]cyclobutane-1-carboxamide
• Synonyms: 1-(methoxymethyl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.506893
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.08938696
• LogD (pH = 7.4): 0.08938706
• Log P: 0.08938707
• Molar Refractivity: 69.2 cm^3
• Polarizability: 27.0987 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.01
• LOG S: -2.04
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6