N-cycloheptyl-3-{methyl[1-(1,2-oxazol-3-yl)ethyl]amino}propanamide

• ChemBase ID: 384781
• Molecular Formular: C16H27N3O2
• Molecular Mass: 293.40448
• Monoisotopic Mass: 293.21032712
• SMILES: c1(nocc1)C(N(CCC(=O)NC1CCCCCC1)C)C
• Canonical SMILES: CC(c1ccon1)N(CCC(=O)NC1CCCCCC1)C
• InChI: InChI=1S/C16H27N3O2/c1-13(15-10-12-21-18-15)19(2)11-9-16(20)17-14-7-5-3-4-6-8-14/h10,12-14H,3-9,11H2,1-2H3,(H,17,20)
• InChIKey: WKPVDYBPISYPHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptyl-3-{methyl[1-(1,2-oxazol-3-yl)ethyl]amino}propanamide
• IUPAC Traditional name: N-cycloheptyl-3-{methyl[1-(1,2-oxazol-3-yl)ethyl]amino}propanamide
• Synonyms: N-cycloheptyl-3-[(1-isoxazol-3-ylethyl)(methyl)amino]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.373378
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4548763
• LogD (pH = 7.4): 2.0265985
• Log P: 2.304993
• Molar Refractivity: 83.1325 cm^3
• Polarizability: 32.25701 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.3
• LOG S: -3.31
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6