2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide

C22H23NO2 — CID 918616

IUPAC2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO2/c1-3-16(2)17-11-13-19(14-12-17)25-15-22(24)23-21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16H,3,15H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyVPLLDHMYLUPTQF-INIZCTEOSA-N
MW333.43 g/mol
LogP5.37
Rot. Bonds6

About 2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide

2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide (PubChem CID 918616) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
PubChem CID918616
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO2/c1-3-16(2)17-11-13-19(14-12-17)25-15-22(24)23-21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16H,3,15H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyVPLLDHMYLUPTQF-INIZCTEOSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40666712
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 7321326
2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 126203847
2-[4-(3-methylbutoxy)phenoxy]-N-naphthalen-1-ylacetamide
CID 4732901
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
3-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-2-methylbenzoic acid
CID 893469
2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4959325
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309
N-[4-[(2R)-butan-2-yl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 7765844
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
2-(4-butan-2-ylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2954143

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide (CID 918616) is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide is CC[C@H](C)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide?
The InChIKey is VPLLDHMYLUPTQF-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-16(2)17-11-13-19(14-12-17)25-15-22(24)23-21-10-6-8-18-7-4-5-9-20(18)21/h4-14,16H,3,15H2,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide?
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide has a molecular weight of 333.43 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 918616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).