2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide

C35H65I2N6O6+ — CID 158576707

IUPAC2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide
SMILESC.C.C.CCI.CCN(CC)CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C.CC[N+](CC)(CC)CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C.I
InChIInChI=1S/C16H25N3O3.C14H21N3O3.C2H5I.3CH4.HI/c1-6-19(7-2,8-3)11-15(20)17-16-12(4)9-14(18(21)22)10-13(16)5;1-5-16(6-2)9-13(18)15-14-10(3)7-12(17(19)20)8-11(14)4;1-2-3;;;;/h9-10H,6-8,11H2,1-5H3;7-8H,5-6,9H2,1-4H3,(H,15,18);2H2,1H3;3*1H4;1H/p+1
InChIKeySYHKTMDTUFRJOY-UHFFFAOYSA-O
MW919.75 g/mol
LogP9.49
Rot. Bonds13

About 2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide

2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide (PubChem CID 158576707) has the molecular formula C35H65I2N6O6+ and a molecular weight of 919.75 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide
PubChem CID158576707
Molecular FormulaC35H65I2N6O6+
Molecular Weight919.75 g/mol
Exact Mass919.30
IUPAC Name2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide
SMILESC.C.C.CCI.CCN(CC)CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C.CC[N+](CC)(CC)CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C.I
InChIInChI=1S/C16H25N3O3.C14H21N3O3.C2H5I.3CH4.HI/c1-6-19(7-2,8-3)11-15(20)17-16-12(4)9-14(18(21)22)10-13(16)5;1-5-16(6-2)9-13(18)15-14-10(3)7-12(17(19)20)8-11(14)4;1-2-3;;;;/h9-10H,6-8,11H2,1-5H3;7-8H,5-6,9H2,1-4H3,(H,15,18);2H2,1H3;3*1H4;1H/p+1
InChIKeySYHKTMDTUFRJOY-UHFFFAOYSA-O
XLogP9.49
TPSA147.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.75
LogP ≤ 59.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
CID 660469
[2-(4-acetyloxy-2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
CID 168796151
[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
CID 3925
N-(2,6-dimethyl-4-nitrophenyl)-3-methoxypropanamide
CID 71857585
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
[2-(2-chloro-4-hydroxy-6-methylanilino)-2-oxoethyl]-triethylazanium
CID 168796135
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9339457
bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 24832929
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
[2-(2,6-dimethylanilino)-2-oxoethyl]-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]butyl]-diethylazanium
CID 139405008
2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30640551

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide?
The IUPAC name of 2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide (CID 158576707) is 2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide.
What is the SMILES notation for 2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide?
The canonical SMILES for 2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide is C.C.C.CCI.CCN(CC)CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C.CC[N+](CC)(CC)CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C.I.
What is the InChIKey of 2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide?
The InChIKey is SYHKTMDTUFRJOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3O3.C14H21N3O3.C2H5I.3CH4.HI/c1-6-19(7-2,8-3)11-15(20)17-16-12(4)9-14(18(21)22)10-13(16)5;1-5-16(6-2)9-13(18)15-14-10(3)7-12(17(19)20)8-11(14)4;1-2-3;;;;/h9-10H,6-8,11H2,1-5H3;7-8H,5-6,9H2,1-4H3,(H,15,18);2H2,1H3;3*1H4;1H/p+1.
What are the key properties of 2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide?
2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide has a molecular weight of 919.75 g/mol, XLogP of 9.49, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,6-dimethyl-4-nitrophenyl)acetamide;[2-(2,6-dimethyl-4-nitroanilino)-2-oxoethyl]-triethylazanium;iodoethane;methane;hydroiodide is sourced from PubChem (CID 158576707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).