(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-phenyl-N-(prop-2-en-1-yl)propanamide

• ChemBase ID: 701500
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: C(=O)(N(Cc1cc(OC)ccc1)CC=C)[C@@H](Cc1ccccc1)N
• Canonical SMILES: C=CCN(C(=O)[C@@H](Cc1ccccc1)N)Cc1cccc(c1)OC
• InChI: InChI=1S/C20H24N2O2/c1-3-12-22(15-17-10-7-11-18(13-17)24-2)20(23)19(21)14-16-8-5-4-6-9-16/h3-11,13,19H,1,12,14-15,21H2,2H3/t19-/m1/s1
• InChIKey: NLSWYHXCEWFSTR-LJQANCHMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-phenyl-N-(prop-2-en-1-yl)propanamide
• IUPAC Traditional name: (2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-phenyl-N-(prop-2-en-1-yl)propanamide
• Synonyms: (2R)-N-allyl-2-amino-N-(3-methoxybenzyl)-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.62507963
• LogD (pH = 7.4): 2.3190837
• Log P: 3.0160763
• Molar Refractivity: 96.9704 cm^3
• Polarizability: 37.84338 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.95
• LOG S: -4.08
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 8