bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride

C28H46Cl2N4O2 — CID 69335483

IUPACbis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl.Cl
InChIInChI=1S/2C14H22N2O.2ClH/c2*1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h2*7-9H,5-6,10H2,1-4H3,(H,15,17);2*1H
InChIKeyJVAQAHKNTGDVNC-UHFFFAOYSA-N
MW541.61 g/mol
LogP6.01
Rot. Bonds10

About bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride

bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride (PubChem CID 69335483) has the molecular formula C28H46Cl2N4O2 and a molecular weight of 541.61 g/mol. Its IUPAC name is bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride.

Molecular Properties

Compound Namebis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
PubChem CID69335483
Molecular FormulaC28H46Cl2N4O2
Molecular Weight541.61 g/mol
Exact Mass540.30
IUPAC Namebis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl.Cl
InChIInChI=1S/2C14H22N2O.2ClH/c2*1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h2*7-9H,5-6,10H2,1-4H3,(H,15,17);2*1H
InChIKeyJVAQAHKNTGDVNC-UHFFFAOYSA-N
XLogP6.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.61
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89442401
CID 89442401
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
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2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene
CID 174517449
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
CID 155092368
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
CID 660469
2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
CID 138396783
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741

Frequently Asked Questions

What is the IUPAC name of bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride?
The IUPAC name of bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride (CID 69335483) is bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride.
What is the SMILES notation for bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride?
The canonical SMILES for bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride is CCN(CC)CC(=O)Nc1c(C)cccc1C.CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl.Cl.
What is the InChIKey of bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride?
The InChIKey is JVAQAHKNTGDVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H22N2O.2ClH/c2*1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h2*7-9H,5-6,10H2,1-4H3,(H,15,17);2*1H.
What are the key properties of bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride?
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride has a molecular weight of 541.61 g/mol, XLogP of 6.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride is sourced from PubChem (CID 69335483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).