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

C13H21ClN2O — CID 138400573

IUPAC2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)C)c(C)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9-6-10(2)13(11(3)7-9)14-12(16)8-15(4)5;/h6-7H,8H2,1-5H3,(H,14,16);1H
InChIKeyUXFAOKRQPWHNEM-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.53
Rot. Bonds3

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

2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (PubChem CID 138400573) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
PubChem CID138400573
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
SMILESCc1cc(C)c(NC(=O)CN(C)C)c(C)c1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9-6-10(2)13(11(3)7-9)14-12(16)8-15(4)5;/h6-7H,8H2,1-5H3,(H,14,16);1H
InChIKeyUXFAOKRQPWHNEM-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30464677
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119291384
2-[acetyl(propyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113158011
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 3026196
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride (CID 138400573) is 2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is Cc1cc(C)c(NC(=O)CN(C)C)c(C)c1.Cl.
What is the InChIKey of 2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
The InChIKey is UXFAOKRQPWHNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-9-6-10(2)13(11(3)7-9)14-12(16)8-15(4)5;/h6-7H,8H2,1-5H3,(H,14,16);1H.
What are the key properties of 2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride?
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 138400573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).