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

• ChemBase ID: 219707
• Molecular Formular: C22H24N4O5
• Molecular Mass: 424.44976
• Monoisotopic Mass: 424.17466989
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCc1occc1)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCN1C(=O)N[C@H](C1=O)CCC(=O)NCc1ccco1)c[nH]2
• InChI: InChI=1S/C22H24N4O5/c1-30-15-4-5-18-17(11-15)14(12-23-18)8-9-26-21(28)19(25-22(26)29)6-7-20(27)24-13-16-3-2-10-31-16/h2-5,10-12,19,23H,6-9,13H2,1H3,(H,24,27)(H,25,29)/t19-/m0/s1
• InChIKey: UFNOPLZLORKDMA-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275617
• PubChem CID: 16409599

CALCULATED PROPERTIES

• Acid pKa: 11.420839
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.1447468
• LogD (pH = 7.4): 1.1447065
• Log P: 1.1447474
• Molar Refractivity: 111.8668 cm^3
• Polarizability: 43.998608 Å^3
• Polar Surface Area: 116.67 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds