2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

C23H26ClN3O5 — CID 55398401

IUPAC2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(C)c2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C23H26ClN3O5/c1-5-23(15-6-8-16(24)9-7-15)21(29)27(22(30)26-23)13-20(28)25-14(2)18-12-17(31-3)10-11-19(18)32-4/h6-12,14H,5,13H2,1-4H3,(H,25,28)(H,26,30)
InChIKeyFUHMZXIDPYOKPR-UHFFFAOYSA-N
MW459.93 g/mol
LogP3.39
Rot. Bonds8

About 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide

2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 55398401) has the molecular formula C23H26ClN3O5 and a molecular weight of 459.93 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID55398401
Molecular FormulaC23H26ClN3O5
Molecular Weight459.93 g/mol
Exact Mass459.16
IUPAC Name2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(C)c2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C23H26ClN3O5/c1-5-23(15-6-8-16(24)9-7-15)21(29)27(22(30)26-23)13-20(28)25-14(2)18-12-17(31-3)10-11-19(18)32-4/h6-12,14H,5,13H2,1-4H3,(H,25,28)(H,26,30)
InChIKeyFUHMZXIDPYOKPR-UHFFFAOYSA-N
XLogP3.39
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 53.39
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-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 24544890
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylethyl)acetamide
CID 18194558
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2584670
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2584613
2-[(4R)-4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 41208228
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42969912
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7181386
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 8566054
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-octan-2-yl]acetamide
CID 8566066
(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7489664
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017569
N-(2,5-difluorophenyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7802383

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 55398401) is 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide is CCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(C)c2cc(OC)ccc2OC)C1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is FUHMZXIDPYOKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O5/c1-5-23(15-6-8-16(24)9-7-15)21(29)27(22(30)26-23)13-20(28)25-14(2)18-12-17(31-3)10-11-19(18)32-4/h6-12,14H,5,13H2,1-4H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 459.93 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55398401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).