2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide

C16H23NO2 — CID 110419575

IUPAC2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CC2CCCCO2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-11-8-12(2)16(13(3)9-11)17-15(18)10-14-6-4-5-7-19-14/h8-9,14H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyGTUAHSWYISVFSG-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.51
Rot. Bonds3

About 2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 110419575) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID110419575
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CC2CCCCO2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-11-8-12(2)16(13(3)9-11)17-15(18)10-14-6-4-5-7-19-14/h8-9,14H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyGTUAHSWYISVFSG-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
CID 65156897
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
N-(4-bromo-2,6-dimethylphenyl)-3-(oxan-2-yl)propanamide
CID 63939813
N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide
CID 103144399
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291222
N-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-2-yl)acetamide
CID 110678002
N-(2-chloro-4,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016092
5-methyl-4-[[2-(oxan-2-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 126833546
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
[(2R)-oxolan-2-yl]methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 9055194

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 110419575) is 2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CC2CCCCO2)c(C)c1.
What is the InChIKey of 2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is GTUAHSWYISVFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-12(2)16(13(3)9-11)17-15(18)10-14-6-4-5-7-19-14/h8-9,14H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of 2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 110419575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).