2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid

C34H56N2O4S — CID 155092479

IUPAC2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid
SMILESCCCCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1.CCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H34O3S.C14H22N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)24(21,22)23;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h15-18H,2-14H2,1H3,(H,21,22,23);7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKeyZXUXNNVVGOWYIH-UHFFFAOYSA-N
MW588.90 g/mol
LogP8.76
Rot. Bonds19

About 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid (PubChem CID 155092479) has the molecular formula C34H56N2O4S and a molecular weight of 588.90 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid
PubChem CID155092479
Molecular FormulaC34H56N2O4S
Molecular Weight588.90 g/mol
Exact Mass588.40
IUPAC Name2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid
SMILESCCCCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1.CCN(CC)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H34O3S.C14H22N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)24(21,22)23;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h15-18H,2-14H2,1H3,(H,21,22,23);7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKeyZXUXNNVVGOWYIH-UHFFFAOYSA-N
XLogP8.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.90
LogP ≤ 58.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
4-octatriacontylbenzenesulfonic acid
CID 101306527
4-pentatetracontylbenzenesulfonic acid
CID 101306652
4-heptacosylbenzenesulfonic acid
CID 101306334
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2-hexyl-3-(2-hydroxybenzoyl)benzoic acid
CID 174834050
sodium;hypochlorous acid;4-tetradecylbenzenesulfonic acid
CID 22053348
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
sodium;4-hexadecylbenzenesulfonic acid;hydride
CID 173423984
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate
CID 130251780
N-butylbutan-1-amine;4-dodecylbenzenesulfonic acid
CID 173355356
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid?
The IUPAC name of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid (CID 155092479) is 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid.
What is the SMILES notation for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid?
The canonical SMILES for 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid is CCCCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1.CCN(CC)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid?
The InChIKey is ZXUXNNVVGOWYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3S.C14H22N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)24(21,22)23;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h15-18H,2-14H2,1H3,(H,21,22,23);7-9H,5-6,10H2,1-4H3,(H,15,17).
What are the key properties of 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid?
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid has a molecular weight of 588.90 g/mol, XLogP of 8.76, 19 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;4-tetradecylbenzenesulfonic acid is sourced from PubChem (CID 155092479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).