2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide

C22H29NO2 — CID 7643309

IUPAC2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1ccc([C@@H](C)CC)cc1
InChIInChI=1S/C22H29NO2/c1-5-16(4)19-11-13-20(14-12-19)25-15-21(24)23-22-17(6-2)9-8-10-18(22)7-3/h8-14,16H,5-7,15H2,1-4H3,(H,23,24)/t16-/m0/s1
InChIKeyGSLVZSHJLBYTOD-INIZCTEOSA-N
MW339.48 g/mol
LogP5.34
Rot. Bonds8

About 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide

2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide (PubChem CID 7643309) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
PubChem CID7643309
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1ccc([C@@H](C)CC)cc1
InChIInChI=1S/C22H29NO2/c1-5-16(4)19-11-13-20(14-12-19)25-15-21(24)23-22-17(6-2)9-8-10-18(22)7-3/h8-14,16H,5-7,15H2,1-4H3,(H,23,24)/t16-/m0/s1
InChIKeyGSLVZSHJLBYTOD-INIZCTEOSA-N
XLogP5.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 2606243
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
N-(2,6-diethylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409164
[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate
CID 17341802
N-(2,6-diethylphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254461
N-(2,6-diethylphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126254462
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-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide (CID 7643309) is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)COc1ccc([C@@H](C)CC)cc1.
What is the InChIKey of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is GSLVZSHJLBYTOD-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-16(4)19-11-13-20(14-12-19)25-15-21(24)23-22-17(6-2)9-8-10-18(22)7-3/h8-14,16H,5-7,15H2,1-4H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide?
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 339.48 g/mol, XLogP of 5.34, 8 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-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 7643309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).