3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(furan-2-yl)ethyl]propanamide

• ChemBase ID: 228227
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCCc1occc1)CCc1ccccc1
• Canonical SMILES: O=C(CC[C@@H]1NC(=O)N(C1=O)CCc1ccccc1)NCCc1ccco1
• InChI: InChI=1S/C20H23N3O4/c24-18(21-12-10-16-7-4-14-27-16)9-8-17-19(25)23(20(26)22-17)13-11-15-5-2-1-3-6-15/h1-7,14,17H,8-13H2,(H,21,24)(H,22,26)/t17-/m0/s1
• InChIKey: ATVVABVTYLEEML-KRWDZBQOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(furan-2-yl)ethyl]propanamide
• IUPAC Traditional name: 3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(furan-2-yl)ethyl]propanamide

Database IDs

• PubChem SID: 164284137
• PubChem CID: 71755342

CALCULATED PROPERTIES

• Acid pKa: 11.531518
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2636157
• LogD (pH = 7.4): 1.2635847
• Log P: 1.2636164
• Molar Refractivity: 99.1825 cm^3
• Polarizability: 38.132103 Å^3
• Polar Surface Area: 91.65 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds