ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate

C19H23N3O6 — CID 17028448

IUPACethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CN3C(=O)CNC3=O)cc12
InChIInChI=1S/C19H23N3O6/c1-4-27-18(25)17-11(2)21(3)15-6-5-13(7-14(15)17)28-10-12(23)9-22-16(24)8-20-19(22)26/h5-7,12,23H,4,8-10H2,1-3H3,(H,20,26)
InChIKeyMTELRKAINVBROJ-UHFFFAOYSA-N
MW389.41 g/mol
LogP0.95
Rot. Bonds7

About ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate

ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate (PubChem CID 17028448) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
PubChem CID17028448
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Nameethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CN3C(=O)CNC3=O)cc12
InChIInChI=1S/C19H23N3O6/c1-4-27-18(25)17-11(2)21(3)15-6-5-13(7-14(15)17)28-10-12(23)9-22-16(24)8-20-19(22)26/h5-7,12,23H,4,8-10H2,1-3H3,(H,20,26)
InChIKeyMTELRKAINVBROJ-UHFFFAOYSA-N
XLogP0.95
TPSA110.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate?
The IUPAC name of ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate (CID 17028448) is ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CN3C(=O)CNC3=O)cc12.
What is the InChIKey of ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate?
The InChIKey is MTELRKAINVBROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-4-27-18(25)17-11(2)21(3)15-6-5-13(7-14(15)17)28-10-12(23)9-22-16(24)8-20-19(22)26/h5-7,12,23H,4,8-10H2,1-3H3,(H,20,26).
What are the key properties of ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate?
ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate is sourced from PubChem (CID 17028448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).