2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide

C12H16N4O — CID 61296548

IUPAC2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccc(N)cc1C#N
InChIInChI=1S/C12H16N4O/c1-15(2)12(17)8-16(3)11-5-4-10(14)6-9(11)7-13/h4-6H,8,14H2,1-3H3
InChIKeyZPPVKAQTRJLCBR-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.66
Rot. Bonds3

About 2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide

2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide (PubChem CID 61296548) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide
PubChem CID61296548
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccc(N)cc1C#N
InChIInChI=1S/C12H16N4O/c1-15(2)12(17)8-16(3)11-5-4-10(14)6-9(11)7-13/h4-6H,8,14H2,1-3H3
InChIKeyZPPVKAQTRJLCBR-UHFFFAOYSA-N
XLogP0.66
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.66
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[ethyl(methyl)amino]benzonitrile
CID 61298190
5-amino-2-[2-cyanoethyl(methyl)amino]benzonitrile
CID 61283805
2-[4-amino-2-(difluoromethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 63734078
2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide
CID 61296173
2-(2-cyano-N,4-dimethylanilino)acetamide
CID 107927039
5-amino-2-[cyclobutylmethyl(methyl)amino]benzonitrile
CID 62862519
2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide
CID 81282642
2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide
CID 43374255
4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
CID 63360563
5-amino-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 61431148
5-amino-2-(N-methylanilino)benzonitrile
CID 61285979
2-(4-amino-N,2-dimethylanilino)acetic acid
CID 62253488

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide (CID 61296548) is 2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1ccc(N)cc1C#N.
What is the InChIKey of 2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide?
The InChIKey is ZPPVKAQTRJLCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15(2)12(17)8-16(3)11-5-4-10(14)6-9(11)7-13/h4-6H,8,14H2,1-3H3.
What are the key properties of 2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide?
2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide has a molecular weight of 232.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 61296548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).