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

• ChemBase ID: 219220
• Molecular Formular: C23H33N3O5
• Molecular Mass: 431.52522
• Monoisotopic Mass: 431.24202117
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCCCC)CC1(c2ccc(cc2)OC)CCOCC1
• Canonical SMILES: CCCCNC(=O)CC[C@@H]1NC(=O)N(C1=O)CC1(CCOCC1)c1ccc(cc1)OC
• InChI: InChI=1S/C23H33N3O5/c1-3-4-13-24-20(27)10-9-19-21(28)26(22(29)25-19)16-23(11-14-31-15-12-23)17-5-7-18(30-2)8-6-17/h5-8,19H,3-4,9-16H2,1-2H3,(H,24,27)(H,25,29)/t19-/m0/s1
• InChIKey: PHDWBIRGDILVJG-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275130
• PubChem CID: 16409134

CALCULATED PROPERTIES

• Acid pKa: 11.809275
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5056211
• LogD (pH = 7.4): 1.5056052
• Log P: 1.505622
• Molar Refractivity: 116.0694 cm^3
• Polarizability: 45.208675 Å^3
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds