N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

C20H27N3O6 — CID 8626885

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)N(CC)Cc2ccc(OCC)c(OC)c2)C1=O
InChIInChI=1S/C20H27N3O6/c1-5-10-22-18(25)19(26)23(20(22)27)13-17(24)21(6-2)12-14-8-9-15(29-7-3)16(11-14)28-4/h8-9,11H,5-7,10,12-13H2,1-4H3
InChIKeyLQYIGTHIFDRTLI-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.64
Rot. Bonds10

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (PubChem CID 8626885) has the molecular formula C20H27N3O6 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
PubChem CID8626885
Molecular FormulaC20H27N3O6
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)N(CC)Cc2ccc(OCC)c(OC)c2)C1=O
InChIInChI=1S/C20H27N3O6/c1-5-10-22-18(25)19(26)23(20(22)27)13-17(24)21(6-2)12-14-8-9-15(29-7-3)16(11-14)28-4/h8-9,11H,5-7,10,12-13H2,1-4H3
InChIKeyLQYIGTHIFDRTLI-UHFFFAOYSA-N
XLogP1.64
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.64
H-Bond Donors ≤ 50
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-dimethoxyphenyl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-ethylpropanamide
CID 46655434
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46606893
N-[(3,4-dimethoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethylacetamide
CID 8576731
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55333044
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylpropanamide
CID 43066228
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9341742
N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 9341883
4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840588
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24676961

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (CID 8626885) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is CCCN1C(=O)C(=O)N(CC(=O)N(CC)Cc2ccc(OCC)c(OC)c2)C1=O.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The InChIKey is LQYIGTHIFDRTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6/c1-5-10-22-18(25)19(26)23(20(22)27)13-17(24)21(6-2)12-14-8-9-15(29-7-3)16(11-14)28-4/h8-9,11H,5-7,10,12-13H2,1-4H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide has a molecular weight of 405.45 g/mol, XLogP of 1.64, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8626885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).