2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide

C22H22N4O4 — CID 59424924

IUPAC2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide
SMILESCCOc1ccc2c(C(N)=O)c(-c3ccc(N4C(=O)CNC4=O)cc3)n(CC)c2c1
InChIInChI=1S/C22H22N4O4/c1-3-25-17-11-15(30-4-2)9-10-16(17)19(21(23)28)20(25)13-5-7-14(8-6-13)26-18(27)12-24-22(26)29/h5-11H,3-4,12H2,1-2H3,(H2,23,28)(H,24,29)
InChIKeyNUHWZFKNFYKEPU-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.88
Rot. Bonds6

About 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide

2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide (PubChem CID 59424924) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide
PubChem CID59424924
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide
SMILESCCOc1ccc2c(C(N)=O)c(-c3ccc(N4C(=O)CNC4=O)cc3)n(CC)c2c1
InChIInChI=1S/C22H22N4O4/c1-3-25-17-11-15(30-4-2)9-10-16(17)19(21(23)28)20(25)13-5-7-14(8-6-13)26-18(27)12-24-22(26)29/h5-11H,3-4,12H2,1-2H3,(H2,23,28)(H,24,29)
InChIKeyNUHWZFKNFYKEPU-UHFFFAOYSA-N
XLogP2.88
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide?
The IUPAC name of 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide (CID 59424924) is 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide.
What is the SMILES notation for 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide?
The canonical SMILES for 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide is CCOc1ccc2c(C(N)=O)c(-c3ccc(N4C(=O)CNC4=O)cc3)n(CC)c2c1.
What is the InChIKey of 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide?
The InChIKey is NUHWZFKNFYKEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-3-25-17-11-15(30-4-2)9-10-16(17)19(21(23)28)20(25)13-5-7-14(8-6-13)26-18(27)12-24-22(26)29/h5-11H,3-4,12H2,1-2H3,(H2,23,28)(H,24,29).
What are the key properties of 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide?
2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carboxamide is sourced from PubChem (CID 59424924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).