(2R)-2-amino-N-[(2-methylphenyl)methyl]-2-phenyl-N-(prop-2-en-1-yl)acetamide

• ChemBase ID: 407594
• Molecular Formular: C19H22N2O
• Molecular Mass: 294.39078
• Monoisotopic Mass: 294.17321333
• SMILES: C(=O)(N(Cc1c(C)cccc1)CC=C)[C@@H](c1ccccc1)N
• Canonical SMILES: C=CCN(C(=O)[C@@H](c1ccccc1)N)Cc1ccccc1C
• InChI: InChI=1S/C19H22N2O/c1-3-13-21(14-17-12-8-7-9-15(17)2)19(22)18(20)16-10-5-4-6-11-16/h3-12,18H,1,13-14,20H2,2H3/t18-/m1/s1
• InChIKey: DBVBZBDUOAPNIW-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N-[(2-methylphenyl)methyl]-2-phenyl-N-(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: (2R)-2-amino-N-[(2-methylphenyl)methyl]-2-phenyl-N-(prop-2-en-1-yl)acetamide
• Synonyms: (2R)-N-allyl-2-amino-N-(2-methylbenzyl)-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2283878
• LogD (pH = 7.4): 2.9018981
• Log P: 3.3985076
• Molar Refractivity: 90.7934 cm^3
• Polarizability: 35.271965 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.31
• LOG S: -4.17
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 6