N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(2-methylphenyl)-3-phenylpropanamide

• ChemBase ID: 558639
• Molecular Formular: C24H27N3O2
• Molecular Mass: 389.49008
• Monoisotopic Mass: 389.21032712
• SMILES: n1c(onc1CCN(C(=O)CC(c1c(C)cccc1)c1ccccc1)C)C1CC1
• Canonical SMILES: O=C(N(CCc1noc(n1)C1CC1)C)CC(c1ccccc1C)c1ccccc1
• InChI: InChI=1S/C24H27N3O2/c1-17-8-6-7-11-20(17)21(18-9-4-3-5-10-18)16-23(28)27(2)15-14-22-25-24(29-26-22)19-12-13-19/h3-11,19,21H,12-16H2,1-2H3
• InChIKey: BNHYICXMCDJPHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(2-methylphenyl)-3-phenylpropanamide
• IUPAC Traditional name: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(2-methylphenyl)-3-phenylpropanamide
• Synonyms: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-3-(2-methylphenyl)-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.814299
• LogD (pH = 7.4): 4.814299
• Log P: 4.814299
• Molar Refractivity: 114.5457 cm^3
• Polarizability: 43.359253 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.42
• LOG S: -4.96
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 8