2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C12H11N3O5 — CID 8597411

IUPAC2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(N)=O)C2=O)cc1
InChIInChI=1S/C12H11N3O5/c1-20-8-4-2-7(3-5-8)15-11(18)10(17)14(12(15)19)6-9(13)16/h2-5H,6H2,1H3,(H2,13,16)
InChIKeyFBODHMACUVBSMW-UHFFFAOYSA-N
MW277.24 g/mol
LogP-0.52
Rot. Bonds4

About 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 8597411) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID8597411
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC Name2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(N)=O)C2=O)cc1
InChIInChI=1S/C12H11N3O5/c1-20-8-4-2-7(3-5-8)15-11(18)10(17)14(12(15)19)6-9(13)16/h2-5H,6H2,1H3,(H2,13,16)
InChIKeyFBODHMACUVBSMW-UHFFFAOYSA-N
XLogP-0.52
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
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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Related Compounds

1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888420
1-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888512
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 8597488
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7491808
1-(4-methoxyphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7888586
N-ethyl-N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888662
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8597541
N-[(2-methoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 7888640
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
CID 8597532
N-(3-fluoro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888566
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7491838
N-(3-chloro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7491692

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 8597411) is 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is COc1ccc(N2C(=O)C(=O)N(CC(N)=O)C2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is FBODHMACUVBSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5/c1-20-8-4-2-7(3-5-8)15-11(18)10(17)14(12(15)19)6-9(13)16/h2-5H,6H2,1H3,(H2,13,16).
What are the key properties of 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 277.24 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8597411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).