3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C17H19N3O3 — CID 7266372

IUPAC3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCc1cccc2c(C(=O)CN3C(=O)NC(C)(C)C3=O)c[nH]c12
InChIInChI=1S/C17H19N3O3/c1-4-10-6-5-7-11-12(8-18-14(10)11)13(21)9-20-15(22)17(2,3)19-16(20)23/h5-8,18H,4,9H2,1-3H3,(H,19,23)
InChIKeyVBOCDVXXONHPHP-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.24
Rot. Bonds4

About 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 7266372) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID7266372
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCc1cccc2c(C(=O)CN3C(=O)NC(C)(C)C3=O)c[nH]c12
InChIInChI=1S/C17H19N3O3/c1-4-10-6-5-7-11-12(8-18-14(10)11)13(21)9-20-15(22)17(2,3)19-16(20)23/h5-8,18H,4,9H2,1-3H3,(H,19,23)
InChIKeyVBOCDVXXONHPHP-UHFFFAOYSA-N
XLogP2.24
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 4882182
(5R)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 40881994
(5R)-5-ethyl-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181283
(5S)-5-(3,4-dimethoxyphenyl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 25362421
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359223
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793497
(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7168399
(4R)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7168403
(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9268099
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione
CID 9320637
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671719
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 9248225

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 7266372) is 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CCc1cccc2c(C(=O)CN3C(=O)NC(C)(C)C3=O)c[nH]c12.
What is the InChIKey of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VBOCDVXXONHPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-10-6-5-7-11-12(8-18-14(10)11)13(21)9-20-15(22)17(2,3)19-16(20)23/h5-8,18H,4,9H2,1-3H3,(H,19,23).
What are the key properties of 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 7266372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).