[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C23H21N3O5 — CID 41047442

IUPAC[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O
InChIInChI=1S/C23H21N3O5/c1-23(2)21(29)26(22(30)25-23)12-18(28)31-13-17(27)19-15-10-6-7-11-16(15)24-20(19)14-8-4-3-5-9-14/h3-11,24H,12-13H2,1-2H3,(H,25,30)
InChIKeyXWVZPBVTUYVGEP-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.89
Rot. Bonds6

About [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 41047442) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID41047442
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O
InChIInChI=1S/C23H21N3O5/c1-23(2)21(29)26(22(30)25-23)12-18(28)31-13-17(27)19-15-10-6-7-11-16(15)24-20(19)14-8-4-3-5-9-14/h3-11,24H,12-13H2,1-2H3,(H,25,30)
InChIKeyXWVZPBVTUYVGEP-UHFFFAOYSA-N
XLogP2.89
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.89
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

2-(2-methyl-1-benzimidazolyl)acetic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
CID 2421864
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
CID 2997962
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 4035516
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 24982673
ethyl (2S)-2-[[(2S)-4-methyl-2-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]-3-phenylpropanoate
CID 127051540
ethyl (2R)-2-[[(2S)-4-methyl-2-[[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]-3-phenylpropanoate
CID 168271936
[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602001
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 16265471
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 24978863
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 24980851
8-ethyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2371772
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2421901

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 41047442) is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC1(C)NC(=O)N(CC(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O.
What is the InChIKey of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is XWVZPBVTUYVGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-23(2)21(29)26(22(30)25-23)12-18(28)31-13-17(27)19-15-10-6-7-11-16(15)24-20(19)14-8-4-3-5-9-14/h3-11,24H,12-13H2,1-2H3,(H,25,30).
What are the key properties of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 419.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 41047442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).