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

• ChemBase ID: 219261
• Molecular Formular: C23H32N4O3
• Molecular Mass: 412.52518
• Monoisotopic Mass: 412.2474409
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC(CCCCC)C)CCc1c[nH]c2c1cccc2
• Canonical SMILES: CCCCCC(NC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C23H32N4O3/c1-3-4-5-8-16(2)25-21(28)12-11-20-22(29)27(23(30)26-20)14-13-17-15-24-19-10-7-6-9-18(17)19/h6-7,9-10,15-16,20,24H,3-5,8,11-14H2,1-2H3,(H,25,28)(H,26,30)/t16?,20-/m0/s1
• InChIKey: UBOSVDIGJWJMDB-FZCLLLDFSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275171
• PubChem CID: 16409175

CALCULATED PROPERTIES

• Acid pKa: 12.111727
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.147309
• LogD (pH = 7.4): 3.147302
• Log P: 3.1473103
• Molar Refractivity: 115.8945 cm^3
• Polarizability: 46.046413 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds