2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

C25H24N2O5 — CID 24595104

IUPAC2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(OCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c(C=O)c1
InChIInChI=1S/C25H24N2O5/c1-17(18-8-4-3-5-9-18)26-25(30)21-10-6-7-11-22(21)27-24(29)16-32-23-13-12-20(31-2)14-19(23)15-28/h3-15,17H,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHEFHJBGHXBVVNY-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.02
Rot. Bonds9

About 2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 24595104) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID24595104
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(OCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c(C=O)c1
InChIInChI=1S/C25H24N2O5/c1-17(18-8-4-3-5-9-18)26-25(30)21-10-6-7-11-22(21)27-24(29)16-32-23-13-12-20(31-2)14-19(23)15-28/h3-15,17H,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHEFHJBGHXBVVNY-UHFFFAOYSA-N
XLogP4.02
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4935075
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634222
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2449612
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 55326852
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 17189556
N-(1,2-diphenylethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 18272328
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 132663328
2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8634027
2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 8633989
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2,6-dimethoxybenzoate
CID 42971973

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 24595104) is 2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is COc1ccc(OCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c(C=O)c1.
What is the InChIKey of 2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is HEFHJBGHXBVVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-17(18-8-4-3-5-9-18)26-25(30)21-10-6-7-11-22(21)27-24(29)16-32-23-13-12-20(31-2)14-19(23)15-28/h3-15,17H,16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 432.48 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 24595104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).