2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide

C17H16N4O — CID 15500432

IUPAC2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
SMILESCN(C)c1ccc(/N=C(\C#N)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H16N4O/c1-21(2)15-10-8-14(9-11-15)19-16(12-18)17(22)20-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,22)/b19-16+
InChIKeyJSEDLSIXSPVVNN-KNTRCKAVSA-N
MW292.34 g/mol
LogP2.99
Rot. Bonds4

About 2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide

2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide (PubChem CID 15500432) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound Name2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
PubChem CID15500432
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
SMILESCN(C)c1ccc(/N=C(\C#N)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H16N4O/c1-21(2)15-10-8-14(9-11-15)19-16(12-18)17(22)20-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,22)/b19-16+
InChIKeyJSEDLSIXSPVVNN-KNTRCKAVSA-N
XLogP2.99
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 15500431
2-cyano-N-[4-(dimethylamino)phenyl]-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
CID 170995263
(1Z)-2-anilino-N-(2-anilino-2-oxoethoxy)-2-oxoethanimidoyl cyanide
CID 6324022
N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide
CID 175672875
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
2-chloro-N-[4-(dimethylamino)phenyl]benzenecarboximidoyl cyanide
CID 134101124
4-[[2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]benzoic acid
CID 3671587
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
1-(3-cyanophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 54344959

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide?
The IUPAC name of 2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide (CID 15500432) is 2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide.
What is the SMILES notation for 2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide?
The canonical SMILES for 2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide is CN(C)c1ccc(/N=C(\C#N)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide?
The InChIKey is JSEDLSIXSPVVNN-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21(2)15-10-8-14(9-11-15)19-16(12-18)17(22)20-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,22)/b19-16+.
What are the key properties of 2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide?
2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide has a molecular weight of 292.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 15500432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).