2,2-diethyl-4-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]morpholine

• ChemBase ID: 818709
• Molecular Formular: C16H30N2O3
• Molecular Mass: 298.421
• Monoisotopic Mass: 298.22564283
• SMILES: N1(C(=O)C2CN(CC2)CCOC)CC(OCC1)(CC)CC
• Canonical SMILES: COCCN1CCC(C1)C(=O)N1CCOC(C1)(CC)CC
• InChI: InChI=1S/C16H30N2O3/c1-4-16(5-2)13-18(9-11-21-16)15(19)14-6-7-17(12-14)8-10-20-3/h14H,4-13H2,1-3H3
• InChIKey: GANFBFLVIALRKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethyl-4-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]morpholine
• IUPAC Traditional name: 2,2-diethyl-4-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]morpholine
• Synonyms: 2,2-diethyl-4-{[1-(2-methoxyethyl)pyrrolidin-3-yl]carbonyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.147705
• LogD (pH = 7.4): -0.5938085
• Log P: 1.091749
• Molar Refractivity: 83.4536 cm^3
• Polarizability: 32.86709 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.07
• LOG S: -3.14
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6