N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide

• ChemBase ID: 715528
• Molecular Formular: C16H22N2O2
• Molecular Mass: 274.35808
• Monoisotopic Mass: 274.16812795
• SMILES: C(=O)(C1OCCNC1)NCc1cc2c(cc1)CCCC2
• Canonical SMILES: O=C(C1CNCCO1)NCc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C16H22N2O2/c19-16(15-11-17-7-8-20-15)18-10-12-5-6-13-3-1-2-4-14(13)9-12/h5-6,9,15,17H,1-4,7-8,10-11H2,(H,18,19)
• InChIKey: HRJJYSUOFIBMRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide
• IUPAC Traditional name: N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide
• Synonyms: N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.426348
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.32163855
• LogD (pH = 7.4): 1.3748351
• Log P: 1.8720214
• Molar Refractivity: 78.4115 cm^3
• Polarizability: 30.5524 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.4
• LOG S: -2.4
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3