2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide

C23H24ClN3O6 — CID 55468975

IUPAC2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)C1=O
InChIInChI=1S/C23H24ClN3O6/c1-3-5-12-26-21(29)22(30)27(23(26)31)14-20(28)25-18-13-15(24)6-11-19(18)33-17-9-7-16(8-10-17)32-4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H,25,28)
InChIKeyLIQMMLJLYUSJDZ-UHFFFAOYSA-N
MW473.91 g/mol
LogP4.06
Rot. Bonds10

About 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide (PubChem CID 55468975) has the molecular formula C23H24ClN3O6 and a molecular weight of 473.91 g/mol. Its IUPAC name is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide
PubChem CID55468975
Molecular FormulaC23H24ClN3O6
Molecular Weight473.91 g/mol
Exact Mass473.14
IUPAC Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)C1=O
InChIInChI=1S/C23H24ClN3O6/c1-3-5-12-26-21(29)22(30)27(23(26)31)14-20(28)25-18-13-15(24)6-11-19(18)33-17-9-7-16(8-10-17)32-4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H,25,28)
InChIKeyLIQMMLJLYUSJDZ-UHFFFAOYSA-N
XLogP4.06
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 2563930
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 60586135
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55445766
N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51139615
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55366052
N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 3512680
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 4666685
(3S)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52577868
3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide
CID 55733911
2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide
CID 24585455
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126273412
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide?
The IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide (CID 55468975) is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2Oc2ccc(OCC)cc2)C1=O.
What is the InChIKey of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide?
The InChIKey is LIQMMLJLYUSJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O6/c1-3-5-12-26-21(29)22(30)27(23(26)31)14-20(28)25-18-13-15(24)6-11-19(18)33-17-9-7-16(8-10-17)32-4-2/h6-11,13H,3-5,12,14H2,1-2H3,(H,25,28).
What are the key properties of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide?
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide has a molecular weight of 473.91 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide is sourced from PubChem (CID 55468975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).