2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide

C24H26BrN3O5 — CID 126249226

IUPAC2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCCCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)C1=O
InChIInChI=1S/C24H26BrN3O5/c1-4-10-28-23(30)19(27-24(28)31)12-16-11-18(25)22(20(13-16)32-5-2)33-14-21(29)26-17-8-6-15(3)7-9-17/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,26,29)(H,27,31)/b19-12+
InChIKeyUUDUVCISMFFKDE-XDHOZWIPSA-N
MW516.39 g/mol
LogP4.48
Rot. Bonds9

About 2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide

2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 126249226) has the molecular formula C24H26BrN3O5 and a molecular weight of 516.39 g/mol. Its IUPAC name is 2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID126249226
Molecular FormulaC24H26BrN3O5
Molecular Weight516.39 g/mol
Exact Mass515.11
IUPAC Name2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
SMILESCCCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)C1=O
InChIInChI=1S/C24H26BrN3O5/c1-4-10-28-23(30)19(27-24(28)31)12-16-11-18(25)22(20(13-16)32-5-2)33-14-21(29)26-17-8-6-15(3)7-9-17/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,26,29)(H,27,31)/b19-12+
InChIKeyUUDUVCISMFFKDE-XDHOZWIPSA-N
XLogP4.48
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-bromo-4-[(E)-(2,5-dioxo-1-prop-2-enylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-phenylacetamide
CID 126138520
2-[(4Z)-4-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 99692809
2-[2-bromo-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 168599410
2-[2-chloro-6-ethoxy-4-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126181752
(5E)-5-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126172272
2-[2-bromo-6-ethoxy-4-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126380618
2-[2-chloro-6-ethoxy-4-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 126234834
2-[2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126108919
2-[2-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126078347
2-[(4E)-4-[[3-ethoxy-5-iodo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126236989
2-[2-bromo-6-methoxy-4-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]-N-phenylacetamide
CID 126198864
2-[4-[[3-[2-(azepan-1-yl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 4580381

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide (CID 126249226) is 2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide is CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)C1=O.
What is the InChIKey of 2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is UUDUVCISMFFKDE-XDHOZWIPSA-N. The full InChI is InChI=1S/C24H26BrN3O5/c1-4-10-28-23(30)19(27-24(28)31)12-16-11-18(25)22(20(13-16)32-5-2)33-14-21(29)26-17-8-6-15(3)7-9-17/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,26,29)(H,27,31)/b19-12+.
What are the key properties of 2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide?
2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 516.39 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 126249226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).