N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 378773
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NCCN1C(=O)NCC1
• Canonical SMILES: Cc1c(CC(=O)NCCN2CCNC2=O)c2c([nH]1)c(C)ccc2C
• InChI: InChI=1S/C18H24N4O2/c1-11-4-5-12(2)17-16(11)14(13(3)21-17)10-15(23)19-6-8-22-9-7-20-18(22)24/h4-5,21H,6-10H2,1-3H3,(H,19,23)(H,20,24)
• InChIKey: DNVXEGSRWTZQOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[2-(2-oxo-1-imidazolidinyl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8962
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 1.317038
• LogD (pH = 7.4): 1.3170379
• Log P: 1.317038
• Molar Refractivity: 94.2978 cm^3
• Polarizability: 36.529446 Å^3
• Polar Surface Area: 77.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 1.52
• LOG S: -2.89
• Polar Surface Area: 77.23 Å^2
• Rotatable Bonds: 5