2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide

C23H21NO5 — CID 8633989

IUPAC2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(C=O)c1
InChIInChI=1S/C23H21NO5/c1-27-21-11-12-22(18(13-21)14-25)29-16-23(26)24-19-7-9-20(10-8-19)28-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyUDZPUHAMWKCRPO-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.10
Rot. Bonds9

About 2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide

2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 8633989) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID8633989
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(C=O)c1
InChIInChI=1S/C23H21NO5/c1-27-21-11-12-22(18(13-21)14-25)29-16-23(26)24-19-7-9-20(10-8-19)28-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyUDZPUHAMWKCRPO-UHFFFAOYSA-N
XLogP4.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.10
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-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634202
4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide
CID 9199687
2-(2-methoxy-4-methylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 2095965
2-(2,6-dimethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 7612423
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8634027
N-(1,2-diphenylethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 18272328
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727286
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide (CID 8633989) is 2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide is COc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(C=O)c1.
What is the InChIKey of 2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is UDZPUHAMWKCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-27-21-11-12-22(18(13-21)14-25)29-16-23(26)24-19-7-9-20(10-8-19)28-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of 2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide?
2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 391.42 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 8633989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).