N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide

C18H19NO5 — CID 17201773

IUPACN-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2c(C=O)cccc2OC)cc1
InChIInChI=1S/C18H19NO5/c1-3-23-15-9-7-14(8-10-15)19-17(21)12-24-18-13(11-20)5-4-6-16(18)22-2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyLEVBNJKAFTXIKK-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.92
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide

N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide (PubChem CID 17201773) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
PubChem CID17201773
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2c(C=O)cccc2OC)cc1
InChIInChI=1S/C18H19NO5/c1-3-23-15-9-7-14(8-10-15)19-17(21)12-24-18-13(11-20)5-4-6-16(18)22-2/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyLEVBNJKAFTXIKK-UHFFFAOYSA-N
XLogP2.92
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 28913417
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate
CID 28913518
2-(2,6-dimethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 7612423
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 5115888
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
N'-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 5244595
N-[4-(2-ethoxyethoxy)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 17130561
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
2-[(5E)-5-[(2-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 126179066

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide (CID 17201773) is N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide is CCOc1ccc(NC(=O)COc2c(C=O)cccc2OC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide?
The InChIKey is LEVBNJKAFTXIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-3-23-15-9-7-14(8-10-15)19-17(21)12-24-18-13(11-20)5-4-6-16(18)22-2/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide?
N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide has a molecular weight of 329.35 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide is sourced from PubChem (CID 17201773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).