(2R)-2-amino-N-(cyclohex-1-en-1-ylmethyl)-2-phenylacetamide

• ChemBase ID: 831556
• Molecular Formular: C15H20N2O
• Molecular Mass: 244.3321
• Monoisotopic Mass: 244.15756327
• SMILES: C(=O)(NCC1=CCCCC1)[C@@H](c1ccccc1)N
• Canonical SMILES: O=C([C@@H](c1ccccc1)N)NCC1=CCCCC1
• InChI: InChI=1S/C15H20N2O/c16-14(13-9-5-2-6-10-13)15(18)17-11-12-7-3-1-4-8-12/h2,5-7,9-10,14H,1,3-4,8,11,16H2,(H,17,18)/t14-/m1/s1
• InChIKey: BKFZJJVRSXUKML-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N-(cyclohex-1-en-1-ylmethyl)-2-phenylacetamide
• IUPAC Traditional name: (2R)-2-amino-N-(cyclohex-1-en-1-ylmethyl)-2-phenylacetamide
• Synonyms: (2R)-2-amino-N-(cyclohex-1-en-1-ylmethyl)-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.582309
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.18426308
• LogD (pH = 7.4): 1.4905725
• Log P: 1.9923449
• Molar Refractivity: 73.5982 cm^3
• Polarizability: 28.678297 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.54
• LOG S: -3.15
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4