2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

C19H33ClN2O — CID 3026196

IUPAC2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCCCCN(CCCC)CC(=O)Nc1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C19H32N2O.ClH/c1-6-8-10-21(11-9-7-2)14-18(22)20-19-16(4)12-15(3)13-17(19)5;/h12-13H,6-11,14H2,1-5H3,(H,20,22);1H
InChIKeyJCVWIBUBMHZMMC-UHFFFAOYSA-N
MW340.94 g/mol
LogP4.87
Rot. Bonds9

About 2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride

2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (PubChem CID 3026196) has the molecular formula C19H33ClN2O and a molecular weight of 340.94 g/mol. Its IUPAC name is 2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
PubChem CID3026196
Molecular FormulaC19H33ClN2O
Molecular Weight340.94 g/mol
Exact Mass340.23
IUPAC Name2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCCCCN(CCCC)CC(=O)Nc1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C19H32N2O.ClH/c1-6-8-10-21(11-9-7-2)14-18(22)20-19-16(4)12-15(3)13-17(19)5;/h12-13H,6-11,14H2,1-5H3,(H,20,22);1H
InChIKeyJCVWIBUBMHZMMC-UHFFFAOYSA-N
XLogP4.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.94
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-[acetyl(propyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113158011
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
CID 138396783
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 107485723
2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635329
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N',N'-dipropylpentanediamide
CID 56540496
N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951084
2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (CID 3026196) is 2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is CCCCN(CCCC)CC(=O)Nc1c(C)cc(C)cc1C.Cl.
What is the InChIKey of 2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The InChIKey is JCVWIBUBMHZMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O.ClH/c1-6-8-10-21(11-9-7-2)14-18(22)20-19-16(4)12-15(3)13-17(19)5;/h12-13H,6-11,14H2,1-5H3,(H,20,22);1H.
What are the key properties of 2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride has a molecular weight of 340.94 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 3026196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).