N-(4-butylphenyl)-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

• ChemBase ID: 219201
• Molecular Formular: C26H30N4O3
• Molecular Mass: 446.5414
• Monoisotopic Mass: 446.23179084
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)Nc1ccc(cc1)CCCC)CCc1c[nH]c2c1cccc2
• Canonical SMILES: CCCCc1ccc(cc1)NC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C26H30N4O3/c1-2-3-6-18-9-11-20(12-10-18)28-24(31)14-13-23-25(32)30(26(33)29-23)16-15-19-17-27-22-8-5-4-7-21(19)22/h4-5,7-12,17,23,27H,2-3,6,13-16H2,1H3,(H,28,31)(H,29,33)/t23-/m0/s1
• InChIKey: YVOUHSQRRBQKPK-QHCPKHFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-butylphenyl)-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
• IUPAC Traditional name: N-(4-butylphenyl)-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

Database IDs

• PubChem SID: 164275111
• PubChem CID: 16409116

CALCULATED PROPERTIES

• Acid pKa: 11.912209
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 4.382395
• LogD (pH = 7.4): 4.3823814
• Log P: 4.382395
• Molar Refractivity: 128.8027 cm^3
• Polarizability: 50.02993 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds