2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(1H-indol-1-yl)propyl]acetamide

• ChemBase ID: 503795
• Molecular Formular: C16H18N4O3
• Molecular Mass: 314.33912
• Monoisotopic Mass: 314.13789046
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCCn1ccc2c1cccc2
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C16H18N4O3/c21-14(11-20-15(22)10-18-16(20)23)17-7-3-8-19-9-6-12-4-1-2-5-13(12)19/h1-2,4-6,9H,3,7-8,10-11H2,(H,17,21)(H,18,23)
• InChIKey: PVKPXAYPKLYGAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(1H-indol-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(indol-1-yl)propyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[3-(1H-indol-1-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.159971
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.14770907
• LogD (pH = 7.4): -0.14771643
• Log P: -0.14770897
• Molar Refractivity: 83.6839 cm^3
• Polarizability: 33.165184 Å^3
• Polar Surface Area: 83.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.34
• LOG S: -3.09
• Polar Surface Area: 83.44 Å^2
• Rotatable Bonds: 6