ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate

C17H20N2O5 — CID 2767586

IUPACethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(Cc2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C17H20N2O5/c1-5-24-14(20)9-19-16(22)15(21)18(17(19)23)8-13-11(3)6-10(2)7-12(13)4/h6-7H,5,8-9H2,1-4H3
InChIKeyYTHCITDQSDAHNB-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.47
Rot. Bonds5

About ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate

ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate (PubChem CID 2767586) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate
PubChem CID2767586
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Nameethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(Cc2c(C)cc(C)cc2C)C1=O
InChIInChI=1S/C17H20N2O5/c1-5-24-14(20)9-19-16(22)15(21)18(17(19)23)8-13-11(3)6-10(2)7-12(13)4/h6-7H,5,8-9H2,1-4H3
InChIKeyYTHCITDQSDAHNB-UHFFFAOYSA-N
XLogP1.47
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate (CID 2767586) is ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)C(=O)N(Cc2c(C)cc(C)cc2C)C1=O.
What is the InChIKey of ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate?
The InChIKey is YTHCITDQSDAHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-5-24-14(20)9-19-16(22)15(21)18(17(19)23)8-13-11(3)6-10(2)7-12(13)4/h6-7H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate?
ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate has a molecular weight of 332.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,4,5-trioxo-3-[(2,4,6-trimethylphenyl)methyl]imidazolidin-1-yl]acetate is sourced from PubChem (CID 2767586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).