2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide

C18H23N3O6 — CID 8607579

IUPAC2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCCCOc1ccc(N2C(=O)C(=O)N(CC(=O)NC)C2=O)cc1OCCC
InChIInChI=1S/C18H23N3O6/c1-4-8-26-13-7-6-12(10-14(13)27-9-5-2)21-17(24)16(23)20(18(21)25)11-15(22)19-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,22)
InChIKeyKHUZMBKGTATHIM-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.31
Rot. Bonds9

About 2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide

2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 8607579) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID8607579
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC Name2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCCCOc1ccc(N2C(=O)C(=O)N(CC(=O)NC)C2=O)cc1OCCC
InChIInChI=1S/C18H23N3O6/c1-4-8-26-13-7-6-12(10-14(13)27-9-5-2)21-17(24)16(23)20(18(21)25)11-15(22)19-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,22)
InChIKeyKHUZMBKGTATHIM-UHFFFAOYSA-N
XLogP1.31
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.31
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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Related Compounds

N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8606430
1-[(2,2-dichlorocyclopropyl)methyl]-3-(3,4-dipropoxyphenyl)imidazolidine-2,4,5-trione
CID 24626704
2-[3-(3,4-diethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40942047
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066
1-(3,4-diethoxyphenyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4,5-trione
CID 8606441
N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807374
1-(3,4-diethoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine-2,4,5-trione
CID 8606393
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7491808
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975817
methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate
CID 131843957
2-(4-amino-3-propoxyphenyl)sulfanyl-N-methylacetamide
CID 114231685

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide (CID 8607579) is 2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide is CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)NC)C2=O)cc1OCCC.
What is the InChIKey of 2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is KHUZMBKGTATHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-4-8-26-13-7-6-12(10-14(13)27-9-5-2)21-17(24)16(23)20(18(21)25)11-15(22)19-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,22).
What are the key properties of 2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide?
2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 377.40 g/mol, XLogP of 1.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dipropoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 8607579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).