2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide

C12H16N4O — CID 104716513

IUPAC2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1cccc(C#N)c1N
InChIInChI=1S/C12H16N4O/c1-3-15-11(17)8-16(2)10-6-4-5-9(7-13)12(10)14/h4-6H,3,8,14H2,1-2H3,(H,15,17)
InChIKeyNZCQEOLSKBFXQN-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.71
Rot. Bonds4

About 2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide

2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide (PubChem CID 104716513) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide
PubChem CID104716513
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1cccc(C#N)c1N
InChIInChI=1S/C12H16N4O/c1-3-15-11(17)8-16(2)10-6-4-5-9(7-13)12(10)14/h4-6H,3,8,14H2,1-2H3,(H,15,17)
InChIKeyNZCQEOLSKBFXQN-UHFFFAOYSA-N
XLogP0.71
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-3-[[2-(ethylamino)-2-oxoethyl]-methylamino]benzoate
CID 115545415
methyl 2-amino-3-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 115545185
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
CID 54980661
2-amino-3-[butan-2-yl(methyl)amino]benzonitrile
CID 104716290
2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
CID 54986511
3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61149660
2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
CID 61221683
2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile
CID 104716390
2-amino-3-[methyl(3-phenylpropyl)amino]benzonitrile
CID 104716362
2-amino-3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 104716346
2-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzonitrile
CID 104717028

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide (CID 104716513) is 2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide is CCNC(=O)CN(C)c1cccc(C#N)c1N.
What is the InChIKey of 2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide?
The InChIKey is NZCQEOLSKBFXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-15-11(17)8-16(2)10-6-4-5-9(7-13)12(10)14/h4-6H,3,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide?
2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide has a molecular weight of 232.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-cyano-N-methylanilino)-N-ethylacetamide is sourced from PubChem (CID 104716513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).