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

• ChemBase ID: 219578
• Molecular Formular: C23H32N4O4
• Molecular Mass: 428.52458
• Monoisotopic Mass: 428.24235552
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCCCCCC)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: CCCCCCNC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C23H32N4O4/c1-3-4-5-6-12-24-21(28)10-9-20-22(29)27(23(30)26-20)13-11-16-15-25-19-8-7-17(31-2)14-18(16)19/h7-8,14-15,20,25H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,30)/t20-/m0/s1
• InChIKey: PEDHPXKGSZDQLM-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275488
• PubChem CID: 16409478

CALCULATED PROPERTIES

• Acid pKa: 11.802542
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.5730631
• LogD (pH = 7.4): 2.573047
• Log P: 2.573064
• Molar Refractivity: 117.9389 cm^3
• Polarizability: 46.725086 Å^3
• Polar Surface Area: 103.53 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds