ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate

C15H16N2O5 — CID 2765714

IUPACethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C15H16N2O5/c1-3-22-12(18)9-17-14(20)13(19)16(15(17)21)8-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyKZLNMKBIFHNSAZ-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.85
Rot. Bonds5

About ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate

ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate (PubChem CID 2765714) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
PubChem CID2765714
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Nameethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C15H16N2O5/c1-3-22-12(18)9-17-14(20)13(19)16(15(17)21)8-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyKZLNMKBIFHNSAZ-UHFFFAOYSA-N
XLogP0.85
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.85
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'}

Analyze ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate (CID 2765714) is ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)C(=O)N(Cc2cccc(C)c2)C1=O.
What is the InChIKey of ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate?
The InChIKey is KZLNMKBIFHNSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-3-22-12(18)9-17-14(20)13(19)16(15(17)21)8-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate?
ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate has a molecular weight of 304.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(3-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 2765714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).