[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate

C23H25ClN4O5 — CID 24531240

IUPAC[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
SMILESCCC1(C)NC(=O)N(NC(=O)COC(=O)c2ccccc2NCCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H25ClN4O5/c1-3-23(2)21(31)28(22(32)26-23)27-19(29)14-33-20(30)17-6-4-5-7-18(17)25-13-12-15-8-10-16(24)11-9-15/h4-11,25H,3,12-14H2,1-2H3,(H,26,32)(H,27,29)
InChIKeyUOCHUAHNWTWBQL-UHFFFAOYSA-N
MW472.93 g/mol
LogP2.90
Rot. Bonds9

About [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate

[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate (PubChem CID 24531240) has the molecular formula C23H25ClN4O5 and a molecular weight of 472.93 g/mol. Its IUPAC name is [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate.

Molecular Properties

Compound Name[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
PubChem CID24531240
Molecular FormulaC23H25ClN4O5
Molecular Weight472.93 g/mol
Exact Mass472.15
IUPAC Name[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
SMILESCCC1(C)NC(=O)N(NC(=O)COC(=O)c2ccccc2NCCc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H25ClN4O5/c1-3-23(2)21(31)28(22(32)26-23)27-19(29)14-33-20(30)17-6-4-5-7-18(17)25-13-12-15-8-10-16(24)11-9-15/h4-11,25H,3,12-14H2,1-2H3,(H,26,32)(H,27,29)
InChIKeyUOCHUAHNWTWBQL-UHFFFAOYSA-N
XLogP2.90
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate?
The IUPAC name of [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate (CID 24531240) is [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate.
What is the SMILES notation for [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate?
The canonical SMILES for [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate is CCC1(C)NC(=O)N(NC(=O)COC(=O)c2ccccc2NCCc2ccc(Cl)cc2)C1=O.
What is the InChIKey of [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate?
The InChIKey is UOCHUAHNWTWBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O5/c1-3-23(2)21(31)28(22(32)26-23)27-19(29)14-33-20(30)17-6-4-5-7-18(17)25-13-12-15-8-10-16(24)11-9-15/h4-11,25H,3,12-14H2,1-2H3,(H,26,32)(H,27,29).
What are the key properties of [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate?
[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate has a molecular weight of 472.93 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate is sourced from PubChem (CID 24531240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).