3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide

• ChemBase ID: 218534
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCCC(C)C)Cc1ccccc1
• Canonical SMILES: CC(CCNC(=O)CC[C@@H]1NC(=O)N(C1=O)Cc1ccccc1)C
• InChI: InChI=1S/C18H25N3O3/c1-13(2)10-11-19-16(22)9-8-15-17(23)21(18(24)20-15)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,22)(H,20,24)/t15-/m0/s1
• InChIKey: SNJFCUSFWILDCZ-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
• IUPAC Traditional name: 3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide

Database IDs

• PubChem SID: 164274444
• PubChem CID: 16408494

CALCULATED PROPERTIES

• Acid pKa: 12.062708
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.741193
• LogD (pH = 7.4): 1.7411845
• Log P: 1.7411938
• Molar Refractivity: 90.9808 cm^3
• Polarizability: 35.334316 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds