N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

C18H21N3O6 — CID 7807374

IUPACN-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC)c(OCC)c2)C1=O
InChIInChI=1S/C18H21N3O6/c1-4-9-20-16(23)17(24)21(18(20)25)11-15(22)19-12-7-8-13(26-5-2)14(10-12)27-6-3/h4,7-8,10H,1,5-6,9,11H2,2-3H3,(H,19,22)
InChIKeyYZWNFKLMYBDPEZ-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.40
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (PubChem CID 7807374) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
PubChem CID7807374
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC NameN-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC)c(OCC)c2)C1=O
InChIInChI=1S/C18H21N3O6/c1-4-9-20-16(23)17(24)21(18(20)25)11-15(22)19-12-7-8-13(26-5-2)14(10-12)27-6-3/h4,7-8,10H,1,5-6,9,11H2,2-3H3,(H,19,22)
InChIKeyYZWNFKLMYBDPEZ-UHFFFAOYSA-N
XLogP1.40
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.40
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975817
N-[3-(ethylaminomethyl)phenyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 119438651
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159
N-(4-ethoxyphenyl)-2-[(5E)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126157670
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
methyl 4-methyl-3-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]benzoate
CID 7807316
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
2-[(5E)-5-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 126165185
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 2452185

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (CID 7807374) is N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC)c(OCC)c2)C1=O.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The InChIKey is YZWNFKLMYBDPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-4-9-20-16(23)17(24)21(18(20)25)11-15(22)19-12-7-8-13(26-5-2)14(10-12)27-6-3/h4,7-8,10H,1,5-6,9,11H2,2-3H3,(H,19,22).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide has a molecular weight of 375.38 g/mol, XLogP of 1.40, 9 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-prop-2-enylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7807374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).