ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate

C24H27N3O7 — CID 2983461

IUPACethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2CCOC)cc1
InChIInChI=1S/C24H27N3O7/c1-4-34-23(30)16-8-10-17(11-9-16)25-21(28)15-20-22(29)27(24(31)26(20)12-13-32-2)18-6-5-7-19(14-18)33-3/h5-11,14,20H,4,12-13,15H2,1-3H3,(H,25,28)
InChIKeyUXFVYBWSIFDGLO-UHFFFAOYSA-N
MW469.49 g/mol
LogP2.68
Rot. Bonds10

About ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate

ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate (PubChem CID 2983461) has the molecular formula C24H27N3O7 and a molecular weight of 469.49 g/mol. Its IUPAC name is ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
PubChem CID2983461
Molecular FormulaC24H27N3O7
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC Nameethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2CCOC)cc1
InChIInChI=1S/C24H27N3O7/c1-4-34-23(30)16-8-10-17(11-9-16)25-21(28)15-20-22(29)27(24(31)26(20)12-13-32-2)18-6-5-7-19(14-18)33-3/h5-11,14,20H,4,12-13,15H2,1-3H3,(H,25,28)
InChIKeyUXFVYBWSIFDGLO-UHFFFAOYSA-N
XLogP2.68
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carbamoyl)pyrrolidine-1-carboxamido)-methyl)benzoate
CID 122164799
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 2161567
Ethyl 4-[4-(2-amino-2-oxoethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 2936792
ethyl 4-[[(2S)-3-(4-hydroxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]benzoate
CID 44590033
Ethyl 4-({[4-(3-methoxyphenyl)-1-piperazinyl]carbonyl}amino)benzoate
CID 2212346
Ethyl 4-{[{[2-(4-methoxyphenyl)ethyl]amino}(oxo)acetyl]amino}benzoate
CID 2213524
ethyl 4-{[3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanoyl]amino}benzoate
CID 2301969
Ethyl 4-({[3-cyclopropyl-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
CID 2961802
Methyl 4-({[1-(4-methylphenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl}amino)benzoate
CID 2984196
Methyl 3-[[1-(3,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate
CID 2999586
4-{2-[4-(3-Methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-2-oxo-acetylamino}-benzoic acid methyl ester
CID 3186679
4-{2-[4-(2-Methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-2-oxo-acetylamino}-benzoic acid methyl ester
CID 3186680

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate (CID 2983461) is ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2CCOC)cc1.
What is the InChIKey of ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The InChIKey is UXFVYBWSIFDGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O7/c1-4-34-23(30)16-8-10-17(11-9-16)25-21(28)15-20-22(29)27(24(31)26(20)12-13-32-2)18-6-5-7-19(14-18)33-3/h5-11,14,20H,4,12-13,15H2,1-3H3,(H,25,28).
What are the key properties of ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate has a molecular weight of 469.49 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 2983461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).