2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C17H19N3O7 — CID 39920703

IUPAC2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc(OC)c1OC
InChIInChI=1S/C17H19N3O7/c1-25-11-6-9(7-12(26-2)14(11)27-3)18-13(21)8-19-15(22)16(23)20(17(19)24)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,18,21)
InChIKeyYDTNJCFOWIHQPQ-UHFFFAOYSA-N
MW377.35 g/mol
LogP0.60
Rot. Bonds7

About 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 39920703) has the molecular formula C17H19N3O7 and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID39920703
Molecular FormulaC17H19N3O7
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc(OC)c1OC
InChIInChI=1S/C17H19N3O7/c1-25-11-6-9(7-12(26-2)14(11)27-3)18-13(21)8-19-15(22)16(23)20(17(19)24)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,18,21)
InChIKeyYDTNJCFOWIHQPQ-UHFFFAOYSA-N
XLogP0.60
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 42902520
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 34602255
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 2660754
2-(3,5-dimethylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46800836
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 122278568
N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 39920728
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119910886
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 4880290
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 39920760
2-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113201773
N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 8954797
N-(1,3-benzodioxol-5-yl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660752

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 39920703) is 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2C(=O)C(=O)N(C3CC3)C2=O)cc(OC)c1OC.
What is the InChIKey of 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is YDTNJCFOWIHQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7/c1-25-11-6-9(7-12(26-2)14(11)27-3)18-13(21)8-19-15(22)16(23)20(17(19)24)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,18,21).
What are the key properties of 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 377.35 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 39920703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).