N-cyclohexyl-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide

• ChemBase ID: 547814
• Molecular Formular: C18H28N2O2
• Molecular Mass: 304.42712
• Monoisotopic Mass: 304.21507815
• SMILES: C(=O)(NC1CCCCC1)CCNCC(Cc1ccccc1)O
• Canonical SMILES: OC(Cc1ccccc1)CNCCC(=O)NC1CCCCC1
• InChI: InChI=1S/C18H28N2O2/c21-17(13-15-7-3-1-4-8-15)14-19-12-11-18(22)20-16-9-5-2-6-10-16/h1,3-4,7-8,16-17,19,21H,2,5-6,9-14H2,(H,20,22)
• InChIKey: RIVWYXAQLJXOPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide
• IUPAC Traditional name: N-cyclohexyl-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide
• Synonyms: N-cyclohexyl-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.756539
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.9445824
• LogD (pH = 7.4): 0.48047554
• Log P: 2.120921
• Molar Refractivity: 88.5406 cm^3
• Polarizability: 34.976494 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.41
• LOG S: -3.48
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 8