[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C19H21N3O5 — CID 2487046

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C19H21N3O5/c1-3-19(4-2)17(25)22(18(26)21-19)10-16(24)27-11-15(23)13-9-20-14-8-6-5-7-12(13)14/h5-9,20H,3-4,10-11H2,1-2H3,(H,21,26)
InChIKeyAZRYXVLXNXJPTH-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.00
Rot. Bonds7

About [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2487046) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2487046
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C19H21N3O5/c1-3-19(4-2)17(25)22(18(26)21-19)10-16(24)27-11-15(23)13-9-20-14-8-6-5-7-12(13)14/h5-9,20H,3-4,10-11H2,1-2H3,(H,21,26)
InChIKeyAZRYXVLXNXJPTH-UHFFFAOYSA-N
XLogP2.00
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,5-diethyl-3-[2-(1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7181033
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793497
(2-oxo-2-thiophen-2-ylethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691440
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
(2-anilino-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2557134
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691332
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9264646
[2-(2-acetylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487061
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691129
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 8569274
(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580074

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2487046) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2c[nH]c3ccccc23)C1=O.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is AZRYXVLXNXJPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-3-19(4-2)17(25)22(18(26)21-19)10-16(24)27-11-15(23)13-9-20-14-8-6-5-7-12(13)14/h5-9,20H,3-4,10-11H2,1-2H3,(H,21,26).
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 371.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2487046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).