2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide

C23H25NO3 — CID 4732901

IUPAC2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
SMILESCC(C)CCOc1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C23H25NO3/c1-17(2)14-15-26-19-10-12-20(13-11-19)27-16-23(25)24-22-9-5-7-18-6-3-4-8-21(18)22/h3-13,17H,14-16H2,1-2H3,(H,24,25)
InChIKeyQSRQMRXRQYANPU-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.28
Rot. Bonds8

About 2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide

2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide (PubChem CID 4732901) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
PubChem CID4732901
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
SMILESCC(C)CCOc1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C23H25NO3/c1-17(2)14-15-26-19-10-12-20(13-11-19)27-16-23(25)24-22-9-5-7-18-6-3-4-8-21(18)22/h3-13,17H,14-16H2,1-2H3,(H,24,25)
InChIKeyQSRQMRXRQYANPU-UHFFFAOYSA-N
XLogP5.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
2-(4-methoxyphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949852
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731
1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 17490110
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
[2-(2-fluoroanilino)-2-oxoethyl] 4-(3-methylbutoxy)benzoate
CID 42966092
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 86689284

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide (CID 4732901) is 2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide is CC(C)CCOc1ccc(OCC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide?
The InChIKey is QSRQMRXRQYANPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-17(2)14-15-26-19-10-12-20(13-11-19)27-16-23(25)24-22-9-5-7-18-6-3-4-8-21(18)22/h3-13,17H,14-16H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide?
2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide has a molecular weight of 363.46 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 4732901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).