N-benzyl-3-[(4S)-1-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,5-dioxoimidazolidin-4-yl]propanamide

• ChemBase ID: 219598
• Molecular Formular: C26H31N3O5
• Molecular Mass: 465.54144
• Monoisotopic Mass: 465.22637111
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCc1ccccc1)CC1(c2ccc(cc2)OC)CCOCC1
• Canonical SMILES: COc1ccc(cc1)C1(CCOCC1)CN1C(=O)N[C@H](C1=O)CCC(=O)NCc1ccccc1
• InChI: InChI=1S/C26H31N3O5/c1-33-21-9-7-20(8-10-21)26(13-15-34-16-14-26)18-29-24(31)22(28-25(29)32)11-12-23(30)27-17-19-5-3-2-4-6-19/h2-10,22H,11-18H2,1H3,(H,27,30)(H,28,32)/t22-/m0/s1
• InChIKey: WKXPKMHNNUHJCX-QFIPXVFZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-[(4S)-1-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,5-dioxoimidazolidin-4-yl]propanamide
• IUPAC Traditional name: N-benzyl-3-[(4S)-1-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-2,5-dioxoimidazolidin-4-yl]propanamide

Database IDs

• PubChem SID: 164275508
• PubChem CID: 16409494

CALCULATED PROPERTIES

• Acid pKa: 11.726641
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.9061956
• LogD (pH = 7.4): 1.9061759
• Log P: 1.9061961
• Molar Refractivity: 126.8084 cm^3
• Polarizability: 49.25582 Å^3
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds