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

C22H23F17N2O4S — CID 155092368

IUPAC2-(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
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H22N2O.C8HF17O3S/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h7-9H,5-6,10H2,1-4H3,(H,15,17);(H,26,27,28)
InChIKeyZDXPGXSYWADAIX-UHFFFAOYSA-N
MW734.47 g/mol
LogP7.42
Rot. Bonds12

About 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

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 (PubChem CID 155092368) has the molecular formula C22H23F17N2O4S and a molecular weight of 734.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID155092368
Molecular FormulaC22H23F17N2O4S
Molecular Weight734.47 g/mol
Exact Mass734.11
IUPAC Name2-(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
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H22N2O.C8HF17O3S/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h7-9H,5-6,10H2,1-4H3,(H,15,17);(H,26,27,28)
InChIKeyZDXPGXSYWADAIX-UHFFFAOYSA-N
XLogP7.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.47
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 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 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

bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
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-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
N,N-diethylethanamine;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 170852082
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid
CID 155092479
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
CID 660469
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)CC(=O)Nc1c(C)cccc1C.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is ZDXPGXSYWADAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C8HF17O3S/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h7-9H,5-6,10H2,1-4H3,(H,15,17);(H,26,27,28).
What are the key properties of 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?
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 has a molecular weight of 734.47 g/mol, XLogP of 7.42, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155092368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).