N-[2-(1H-indol-3-yl)ethyl]-2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide

• ChemBase ID: 224618
• Molecular Formular: C21H26N4O3
• Molecular Mass: 382.45614
• Monoisotopic Mass: 382.20049071
• SMILES: N1(C(=O)N(C2(C1=O)CCCCC2)C)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(CN1C(=O)N(C2(C1=O)CCCCC2)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C21H26N4O3/c1-24-20(28)25(19(27)21(24)10-5-2-6-11-21)14-18(26)22-12-9-15-13-23-17-8-4-3-7-16(15)17/h3-4,7-8,13,23H,2,5-6,9-12,14H2,1H3,(H,22,26)
• InChIKey: TULIRIAQOZSACD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide

Database IDs

• PubChem SID: 164280528
• PubChem CID: 8496460

CALCULATED PROPERTIES

• Acid pKa: 15.409121
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0311625
• LogD (pH = 7.4): 2.0311625
• Log P: 2.0311625
• Molar Refractivity: 105.1511 cm^3
• Polarizability: 41.63591 Å^3
• Polar Surface Area: 85.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds