2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C13H14N4O4 — CID 88660154

IUPAC2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESC/C(=N\O)c1ccc(N2C(=O)NC(CC(N)=O)C2=O)cc1
InChIInChI=1S/C13H14N4O4/c1-7(16-21)8-2-4-9(5-3-8)17-12(19)10(6-11(14)18)15-13(17)20/h2-5,10,21H,6H2,1H3,(H2,14,18)(H,15,20)/b16-7+
InChIKeyCBSAKTMOFPLMIC-FRKPEAEDSA-N
MW290.28 g/mol
LogP0.19
Rot. Bonds4

About 2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide

2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 88660154) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID88660154
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESC/C(=N\O)c1ccc(N2C(=O)NC(CC(N)=O)C2=O)cc1
InChIInChI=1S/C13H14N4O4/c1-7(16-21)8-2-4-9(5-3-8)17-12(19)10(6-11(14)18)15-13(17)20/h2-5,10,21H,6H2,1H3,(H2,14,18)(H,15,20)/b16-7+
InChIKeyCBSAKTMOFPLMIC-FRKPEAEDSA-N
XLogP0.19
TPSA125.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

S-[[1-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,5-dioxoimidazolidin-4-yl]methyl] ethanethioate
CID 152763907
5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
CID 152763908
5-[(1-acetylimidazol-4-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
CID 151692288
5-[(1-acetylindol-3-yl)methyl]-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
CID 152763905
4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide
CID 70432504
(3aS,7aS)-2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7659268
(3aR,7aS)-2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7659267
1-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyrrole-2,5-dione
CID 4124115
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyrrole-2,5-dione
CID 6015796
[4-[[1-(4-carbamoylphenyl)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] acetate
CID 70431417
3-[1-[4-(hydroxyiminomethyl)phenyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 88659796
2-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetate
CID 4062868

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of 2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 88660154) is 2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide is C/C(=N\O)c1ccc(N2C(=O)NC(CC(N)=O)C2=O)cc1.
What is the InChIKey of 2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is CBSAKTMOFPLMIC-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-7(16-21)8-2-4-9(5-3-8)17-12(19)10(6-11(14)18)15-13(17)20/h2-5,10,21H,6H2,1H3,(H2,14,18)(H,15,20)/b16-7+.
What are the key properties of 2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 290.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 88660154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).