N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide

C20H23NO6 — CID 34060908

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2ccc(C=O)cc2OC)cc1
InChIInChI=1S/C20H23NO6/c1-3-25-16-5-7-17(8-6-16)26-11-10-21-20(23)14-27-18-9-4-15(13-22)12-19(18)24-2/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,21,23)
InChIKeyJROMLYIQIXXLPE-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.48
Rot. Bonds11

About N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide

N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide (PubChem CID 34060908) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
PubChem CID34060908
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2ccc(C=O)cc2OC)cc1
InChIInChI=1S/C20H23NO6/c1-3-25-16-5-7-17(8-6-16)26-11-10-21-20(23)14-27-18-9-4-15(13-22)12-19(18)24-2/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,21,23)
InChIKeyJROMLYIQIXXLPE-UHFFFAOYSA-N
XLogP2.48
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007
2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27874519
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9480867
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611948
2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 34061017
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide
CID 9201158
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 33258152
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36545646
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82057058

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide (CID 34060908) is N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide is CCOc1ccc(OCCNC(=O)COc2ccc(C=O)cc2OC)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is JROMLYIQIXXLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-25-16-5-7-17(8-6-16)26-11-10-21-20(23)14-27-18-9-4-15(13-22)12-19(18)24-2/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide?
N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide has a molecular weight of 373.41 g/mol, XLogP of 2.48, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 34060908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).