1-[2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide

• ChemBase ID: 448240
• Molecular Formular: C16H26N2O3
• Molecular Mass: 294.38924
• Monoisotopic Mass: 294.1943427
• SMILES: C1(C(=O)N2CC(OCC2)CC2CCCCC2)(CC1)C(=O)N
• Canonical SMILES: NC(=O)C1(CC1)C(=O)N1CCOC(C1)CC1CCCCC1
• InChI: InChI=1S/C16H26N2O3/c17-14(19)16(6-7-16)15(20)18-8-9-21-13(11-18)10-12-4-2-1-3-5-12/h12-13H,1-11H2,(H2,17,19)
• InChIKey: HBWKEZWCLYQSNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-[2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
• Synonyms: 1-{[2-(cyclohexylmethyl)-4-morpholinyl]carbonyl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.902591
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4597892
• LogD (pH = 7.4): 1.4597892
• Log P: 1.4597892
• Molar Refractivity: 78.8666 cm^3
• Polarizability: 31.14872 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 2.06
• LOG S: -1.71