N-{2-[4-(2,2-dimethylpropyl)morpholin-2-yl]ethyl}cyclobutanecarboxamide

• ChemBase ID: 322742
• Molecular Formular: C16H30N2O2
• Molecular Mass: 282.4216
• Monoisotopic Mass: 282.23072821
• SMILES: N1(CC(C)(C)C)CC(OCC1)CCNC(=O)C1CCC1
• Canonical SMILES: O=C(C1CCC1)NCCC1OCCN(C1)CC(C)(C)C
• InChI: InChI=1S/C16H30N2O2/c1-16(2,3)12-18-9-10-20-14(11-18)7-8-17-15(19)13-5-4-6-13/h13-14H,4-12H2,1-3H3,(H,17,19)
• InChIKey: NWESRCUTAVKKQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(2,2-dimethylpropyl)morpholin-2-yl]ethyl}cyclobutanecarboxamide
• IUPAC Traditional name: N-{2-[4-(2,2-dimethylpropyl)morpholin-2-yl]ethyl}cyclobutanecarboxamide
• Synonyms: N-{2-[4-(2,2-dimethylpropyl)morpholin-2-yl]ethyl}cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.167519
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.41512415
• LogD (pH = 7.4): 1.3357372
• Log P: 1.9599276
• Molar Refractivity: 81.1343 cm^3
• Polarizability: 32.16681 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.51
• LOG S: -2.55
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6