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

• ChemBase ID: 219436
• Molecular Formular: C20H24N4O4
• Molecular Mass: 384.42896
• Monoisotopic Mass: 384.17975527
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCC=C)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: C=CCNC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C20H24N4O4/c1-3-9-21-18(25)7-6-17-19(26)24(20(27)23-17)10-8-13-12-22-16-5-4-14(28-2)11-15(13)16/h3-5,11-12,17,22H,1,6-10H2,2H3,(H,21,25)(H,23,27)/t17-/m0/s1
• InChIKey: CXGFVKPFIZMNOT-KRWDZBQOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275346
• PubChem CID: 16409341

CALCULATED PROPERTIES

• Acid pKa: 11.804393
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.0912768
• LogD (pH = 7.4): 1.0912606
• Log P: 1.0912775
• Molar Refractivity: 104.026 cm^3
• Polarizability: 40.963894 Å^3
• Polar Surface Area: 103.53 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds