2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C21H25NO7 — CID 36545646

IUPAC2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H25NO7/c1-5-28-17-8-14(12-23)6-7-16(17)29-13-20(24)22-11-15-9-18(25-2)21(27-4)19(10-15)26-3/h6-10,12H,5,11,13H2,1-4H3,(H,22,24)
InChIKeyDQTVWULOLLSSRE-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.62
Rot. Bonds11

About 2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 36545646) has the molecular formula C21H25NO7 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID36545646
Molecular FormulaC21H25NO7
Molecular Weight403.43 g/mol
Exact Mass403.16
IUPAC Name2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H25NO7/c1-5-28-17-8-14(12-23)6-7-16(17)29-13-20(24)22-11-15-9-18(25-2)21(27-4)19(10-15)26-3/h6-10,12H,5,11,13H2,1-4H3,(H,22,24)
InChIKeyDQTVWULOLLSSRE-UHFFFAOYSA-N
XLogP2.62
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide
CID 9201164
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611948
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide
CID 9201158
N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 34060908
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9480867
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753590
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 78899642

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 36545646) is 2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is CCOc1cc(C=O)ccc1OCC(=O)NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is DQTVWULOLLSSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO7/c1-5-28-17-8-14(12-23)6-7-16(17)29-13-20(24)22-11-15-9-18(25-2)21(27-4)19(10-15)26-3/h6-10,12H,5,11,13H2,1-4H3,(H,22,24).
What are the key properties of 2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 403.43 g/mol, XLogP of 2.62, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 36545646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).