[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate

C19H22N2O5 — CID 43023961

IUPAC[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCc1ccc(C)c(C(=O)COC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)c1
InChIInChI=1S/C19H22N2O5/c1-11-4-5-12(2)14(8-11)15(22)10-26-16(23)9-21-17(24)19(3,13-6-7-13)20-18(21)25/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,20,25)
InChIKeyNYNPFRNXEFYVKS-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.75
Rot. Bonds6

About [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 43023961) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID43023961
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCc1ccc(C)c(C(=O)COC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)c1
InChIInChI=1S/C19H22N2O5/c1-11-4-5-12(2)14(8-11)15(22)10-26-16(23)9-21-17(24)19(3,13-6-7-13)20-18(21)25/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,20,25)
InChIKeyNYNPFRNXEFYVKS-UHFFFAOYSA-N
XLogP1.75
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42984950
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetate
CID 19181186
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98120900
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8935565
(4-chloro-2-methylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 78790836
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetate
CID 3342851
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetate
CID 124712359
(3-methyl-5-propan-2-ylphenyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 86977225
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33033846
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47009670
(1-cyclopropylcyclopropyl) 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 102559296

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 43023961) is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is NYNPFRNXEFYVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11-4-5-12(2)14(8-11)15(22)10-26-16(23)9-21-17(24)19(3,13-6-7-13)20-18(21)25/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,20,25).
What are the key properties of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 358.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 43023961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).