1-[2-(naphthalen-2-yloxy)propanamido]cyclohexane-1-carboxamide

• ChemBase ID: 666340
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C(=O)(NC1(C(=O)N)CCCCC1)C(Oc1cc2c(cc1)cccc2)C
• Canonical SMILES: O=C(C(Oc1ccc2c(c1)cccc2)C)NC1(CCCCC1)C(=O)N
• InChI: InChI=1S/C20H24N2O3/c1-14(18(23)22-20(19(21)24)11-5-2-6-12-20)25-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H2,21,24)(H,22,23)
• InChIKey: HAVMAOFJILNPSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(naphthalen-2-yloxy)propanamido]cyclohexane-1-carboxamide
• IUPAC Traditional name: 1-[2-(naphthalen-2-yloxy)propanamido]cyclohexane-1-carboxamide
• Synonyms: 1-{[2-(2-naphthyloxy)propanoyl]amino}cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.338953
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.9669907
• LogD (pH = 7.4): 2.9669862
• Log P: 2.9669907
• Molar Refractivity: 95.2296 cm^3
• Polarizability: 38.61169 Å^3
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.93
• LOG S: -4.18
• Polar Surface Area: 81.42 Å^2
• Rotatable Bonds: 5