2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide

C20H19N3O6 — CID 2524808

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C20H19N3O6/c1-28-14-8-9-16(29-2)15(10-14)21-17(24)12-23-19(26)18(25)22(20(23)27)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyGOHRNMVWKBKKRN-UHFFFAOYSA-N
MW397.39 g/mol
LogP1.63
Rot. Bonds7

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 2524808) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID2524808
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C20H19N3O6/c1-28-14-8-9-16(29-2)15(10-14)21-17(24)12-23-19(26)18(25)22(20(23)27)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyGOHRNMVWKBKKRN-UHFFFAOYSA-N
XLogP1.63
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide (CID 2524808) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is GOHRNMVWKBKKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-28-14-8-9-16(29-2)15(10-14)21-17(24)12-23-19(26)18(25)22(20(23)27)11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 397.39 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2524808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).