3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide

C13H16N4O4 — CID 9213261

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N/N=C\c2ccco2)C1=O
InChIInChI=1S/C13H16N4O4/c1-13(2)11(19)17(12(20)15-13)6-5-10(18)16-14-8-9-4-3-7-21-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,20)(H,16,18)/b14-8-
InChIKeyUVXPRTYFZHZBCL-ZSOIEALJSA-N
MW292.29 g/mol
LogP0.45
Rot. Bonds5

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide (PubChem CID 9213261) has the molecular formula C13H16N4O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
PubChem CID9213261
Molecular FormulaC13H16N4O4
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)N/N=C\c2ccco2)C1=O
InChIInChI=1S/C13H16N4O4/c1-13(2)11(19)17(12(20)15-13)6-5-10(18)16-14-8-9-4-3-7-21-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,20)(H,16,18)/b14-8-
InChIKeyUVXPRTYFZHZBCL-ZSOIEALJSA-N
XLogP0.45
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9213794
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 9213604
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 9213209
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]propanamide
CID 8974460
[4-[(Z)-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 9214062
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9214464
N-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9214440
N-[(E)-furan-2-ylmethylideneamino]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 6897558
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-1-(2-methylphenyl)ethylideneamino]propanamide
CID 9214057
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 135577184

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide (CID 9213261) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide is CC1(C)NC(=O)N(CCC(=O)N/N=C\c2ccco2)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide?
The InChIKey is UVXPRTYFZHZBCL-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-13(2)11(19)17(12(20)15-13)6-5-10(18)16-14-8-9-4-3-7-21-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,20)(H,16,18)/b14-8-.
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide has a molecular weight of 292.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide is sourced from PubChem (CID 9213261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).