N-cyclopropyl-3-hydroxy-N-(naphthalen-1-ylmethyl)propanamide

• ChemBase ID: 856313
• Molecular Formular: C17H19NO2
• Molecular Mass: 269.33826
• Monoisotopic Mass: 269.14157885
• SMILES: N(Cc1c2c(ccc1)cccc2)(C1CC1)C(=O)CCO
• Canonical SMILES: OCCC(=O)N(C1CC1)Cc1cccc2c1cccc2
• InChI: InChI=1S/C17H19NO2/c19-11-10-17(20)18(15-8-9-15)12-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,15,19H,8-12H2
• InChIKey: OADYGMCSJXYKBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-hydroxy-N-(naphthalen-1-ylmethyl)propanamide
• IUPAC Traditional name: N-cyclopropyl-3-hydroxy-N-(naphthalen-1-ylmethyl)propanamide
• Synonyms: N-cyclopropyl-3-hydroxy-N-(1-naphthylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.771088
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0163429
• LogD (pH = 7.4): 2.0163429
• Log P: 2.0163429
• Molar Refractivity: 78.9349 cm^3
• Polarizability: 31.847672 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.0
• LOG S: -2.87
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 5