ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C22H25N3O5 — CID 2998017

IUPACethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(CC)(c3ccccc3)C2=O)c1C
InChIInChI=1S/C22H25N3O5/c1-5-22(15-10-8-7-9-11-15)20(28)25(21(29)24-22)12-16(26)18-13(3)17(14(4)23-18)19(27)30-6-2/h7-11,23H,5-6,12H2,1-4H3,(H,24,29)
InChIKeyFOVBZNFCLJMWOL-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.85
Rot. Bonds7

About ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 2998017) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID2998017
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Nameethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(CC)(c3ccccc3)C2=O)c1C
InChIInChI=1S/C22H25N3O5/c1-5-22(15-10-8-7-9-11-15)20(28)25(21(29)24-22)12-16(26)18-13(3)17(14(4)23-18)19(27)30-6-2/h7-11,23H,5-6,12H2,1-4H3,(H,24,29)
InChIKeyFOVBZNFCLJMWOL-UHFFFAOYSA-N
XLogP2.85
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(3-phenylpropylamino)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2120202
4-(1,3-dioxoisoindol-2-yl)butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2535819
ethyl 2,4-dimethyl-5-[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]-1H-pyrrole-3-carboxylate
CID 2574381
ethyl 2,4-dimethyl-5-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]-1H-pyrrole-3-carboxylate
CID 2998951
3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 3377901
methyl 5-[2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 4794257
ethyl 4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7998689
ethyl 5-[2-(dimethylamino)-3-phenylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride
CID 11834424
ethyl 2,4-dimethyl-5-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetyl]-1H-pyrrole-3-carboxylate
CID 16196235
methyl 2,4-dimethyl-5-[2-[5-oxo-1-(2-phenylethyl)pyrrolidine-3-carbonyl]oxypropanoyl]-1H-pyrrole-3-carboxylate
CID 16304946
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16377520
2-O-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 24687703

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 2998017) is ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(CC)(c3ccccc3)C2=O)c1C.
What is the InChIKey of ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is FOVBZNFCLJMWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-5-22(15-10-8-7-9-11-15)20(28)25(21(29)24-22)12-16(26)18-13(3)17(14(4)23-18)19(27)30-6-2/h7-11,23H,5-6,12H2,1-4H3,(H,24,29).
What are the key properties of ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 411.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 2998017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).