methyl (2R)-3-phenyl-2-{[(2-phenylethyl)carbamoyl]amino}propanoate

• ChemBase ID: 194775
• Molecular Formular: C19H22N2O3
• Molecular Mass: 326.38958
• Monoisotopic Mass: 326.16304257
• SMILES: C(=O)(N[C@@H](C(=O)OC)Cc1ccccc1)NCCc1ccccc1
• Canonical SMILES: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCCc1ccccc1
• InChI: InChI=1S/C19H22N2O3/c1-24-18(22)17(14-16-10-6-3-7-11-16)21-19(23)20-13-12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H2,20,21,23)/t17-/m1/s1
• InChIKey: RPADKOSDERMFBJ-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-3-phenyl-2-{[(2-phenylethyl)carbamoyl]amino}propanoate
• IUPAC Traditional name: methyl (2R)-3-phenyl-2-{[(2-phenylethyl)carbamoyl]amino}propanoate

Database IDs

• PubChem SID: 164250685
• PubChem CID: 1798247

CALCULATED PROPERTIES

• Acid pKa: 14.815983
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9456205
• LogD (pH = 7.4): 2.9456205
• Log P: 2.9456205
• Molar Refractivity: 92.2702 cm^3
• Polarizability: 35.919983 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds