N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide

C20H23NO4 — CID 7960500

IUPACN-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)Nc2ccc(CC)cc2)c1
InChIInChI=1S/C20H23NO4/c1-3-11-24-18-10-7-16(13-22)19(12-18)25-14-20(23)21-17-8-5-15(4-2)6-9-17/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,21,23)
InChIKeyHSGCRYRCHSBKRA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.87
Rot. Bonds9

About N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide

N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide (PubChem CID 7960500) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
PubChem CID7960500
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)Nc2ccc(CC)cc2)c1
InChIInChI=1S/C20H23NO4/c1-3-11-24-18-10-7-16(13-22)19(12-18)25-14-20(23)21-17-8-5-15(4-2)6-9-17/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,21,23)
InChIKeyHSGCRYRCHSBKRA-UHFFFAOYSA-N
XLogP3.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960522
N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960384
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7960465
methyl 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7960405
2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9017740
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704975
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide (CID 7960500) is N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide is CCCOc1ccc(C=O)c(OCC(=O)Nc2ccc(CC)cc2)c1.
What is the InChIKey of N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
The InChIKey is HSGCRYRCHSBKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-11-24-18-10-7-16(13-22)19(12-18)25-14-20(23)21-17-8-5-15(4-2)6-9-17/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide?
N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide is sourced from PubChem (CID 7960500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).