3-methoxy-2,2-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]propanamide

• ChemBase ID: 850774
• Molecular Formular: C15H21NO2
• Molecular Mass: 247.33274
• Monoisotopic Mass: 247.15722892
• SMILES: [C@@H]1([C@@H](C1)c1ccccc1)NC(=O)C(COC)(C)C
• Canonical SMILES: COCC(C(=O)N[C@@H]1C[C@H]1c1ccccc1)(C)C
• InChI: InChI=1S/C15H21NO2/c1-15(2,10-18-3)14(17)16-13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13+/m0/s1
• InChIKey: QQMHPHMVCUJGLS-QWHCGFSZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2,2-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
• IUPAC Traditional name: 3-methoxy-2,2-dimethyl-N-[(1R,2S)-2-phenylcyclopropyl]propanamide
• Synonyms: 3-methoxy-2,2-dimethyl-N-[(1R*,2S*)-2-phenylcyclopropyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.763963
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3196206
• LogD (pH = 7.4): 2.3196208
• Log P: 2.3196208
• Molar Refractivity: 71.3687 cm^3
• Polarizability: 28.07193 Å^3
• Polar Surface Area: 38.33 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: 2.03
• LOG S: -2.74
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5