2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide

C21H19NO3 — CID 51140286

IUPAC2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1ccc2ccccc2c1C=O)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-15(16-7-3-2-4-8-16)22-21(24)14-25-20-12-11-17-9-5-6-10-18(17)19(20)13-23/h2-13,15H,14H2,1H3,(H,22,24)
InChIKeyWJIYPPXUMXMKMX-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.91
Rot. Bonds6

About 2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide

2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide (PubChem CID 51140286) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
PubChem CID51140286
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1ccc2ccccc2c1C=O)c1ccccc1
InChIInChI=1S/C21H19NO3/c1-15(16-7-3-2-4-8-16)22-21(24)14-25-20-12-11-17-9-5-6-10-18(17)19(20)13-23/h2-13,15H,14H2,1H3,(H,22,24)
InChIKeyWJIYPPXUMXMKMX-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
2-(1-formylnaphthalen-2-yl)oxy-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7763232
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7611853
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763278
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 42976197
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088

Frequently Asked Questions

What is the IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide (CID 51140286) is 2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide is CC(NC(=O)COc1ccc2ccccc2c1C=O)c1ccccc1.
What is the InChIKey of 2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide?
The InChIKey is WJIYPPXUMXMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-15(16-7-3-2-4-8-16)22-21(24)14-25-20-12-11-17-9-5-6-10-18(17)19(20)13-23/h2-13,15H,14H2,1H3,(H,22,24).
What are the key properties of 2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide?
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 51140286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).