N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C18H23N3O6 — CID 7975817

IUPACN-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1OCC
InChIInChI=1S/C18H23N3O6/c1-5-26-13-8-7-12(9-14(13)27-6-2)19-15(22)10-20-16(23)17(24)21(11(3)4)18(20)25/h7-9,11H,5-6,10H2,1-4H3,(H,19,22)
InChIKeyMURVVYFAJKALFJ-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.62
Rot. Bonds8

About N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 7975817) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID7975817
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC NameN-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1OCC
InChIInChI=1S/C18H23N3O6/c1-5-26-13-8-7-12(9-14(13)27-6-2)19-15(22)10-20-16(23)17(24)21(11(3)4)18(20)25/h7-9,11H,5-6,10H2,1-4H3,(H,19,22)
InChIKeyMURVVYFAJKALFJ-UHFFFAOYSA-N
XLogP1.62
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.62
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-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807374
N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652393
N-[4-(dimethylamino)phenyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7762086
N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 8988510
N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7259158
N-(2-ethylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975944
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049865
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 2452185
N-(2-ethyl-6-methylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975795

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 7975817) is N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is CCOc1ccc(NC(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is MURVVYFAJKALFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-5-26-13-8-7-12(9-14(13)27-6-2)19-15(22)10-20-16(23)17(24)21(11(3)4)18(20)25/h7-9,11H,5-6,10H2,1-4H3,(H,19,22).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 377.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7975817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).