2-(2-cyano-N,4-dimethylanilino)acetamide

C11H13N3O — CID 107927039

IUPAC2-(2-cyano-N,4-dimethylanilino)acetamide
SMILESCc1ccc(N(C)CC(N)=O)c(C#N)c1
InChIInChI=1S/C11H13N3O/c1-8-3-4-10(9(5-8)6-12)14(2)7-11(13)15/h3-5H,7H2,1-2H3,(H2,13,15)
InChIKeyWGJZAMKGIZWVCU-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.79
Rot. Bonds3

About 2-(2-cyano-N,4-dimethylanilino)acetamide

2-(2-cyano-N,4-dimethylanilino)acetamide (PubChem CID 107927039) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2-cyano-N,4-dimethylanilino)acetamide.

Molecular Properties

Compound Name2-(2-cyano-N,4-dimethylanilino)acetamide
PubChem CID107927039
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-(2-cyano-N,4-dimethylanilino)acetamide
SMILESCc1ccc(N(C)CC(N)=O)c(C#N)c1
InChIInChI=1S/C11H13N3O/c1-8-3-4-10(9(5-8)6-12)14(2)7-11(13)15/h3-5H,7H2,1-2H3,(H2,13,15)
InChIKeyWGJZAMKGIZWVCU-UHFFFAOYSA-N
XLogP0.79
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-cyano-N-methyl-4-(trifluoromethyl)anilino]acetamide
CID 43374255
2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide
CID 62921927
2-(2-cyano-N,5-dimethylanilino)acetic acid
CID 62308954
2-[2-cyanoethyl(methyl)amino]-5-methylbenzonitrile
CID 107926782
5-methyl-2-[methyl(2-methylpropyl)amino]benzonitrile
CID 107927024
2-[3-(dimethylamino)propyl-methylamino]-5-methylbenzonitrile
CID 107927497
2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide
CID 61296548
methyl 2-(2-cyano-N,5-dimethylanilino)acetate
CID 62308388
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
CID 60930505
2-(2-cyano-N-ethyl-4-methylanilino)-2-methylpropanoic acid
CID 107926645
2-(4-bromo-2-cyano-N-ethylanilino)acetamide
CID 103102407

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-N,4-dimethylanilino)acetamide?
The IUPAC name of 2-(2-cyano-N,4-dimethylanilino)acetamide (CID 107927039) is 2-(2-cyano-N,4-dimethylanilino)acetamide.
What is the SMILES notation for 2-(2-cyano-N,4-dimethylanilino)acetamide?
The canonical SMILES for 2-(2-cyano-N,4-dimethylanilino)acetamide is Cc1ccc(N(C)CC(N)=O)c(C#N)c1.
What is the InChIKey of 2-(2-cyano-N,4-dimethylanilino)acetamide?
The InChIKey is WGJZAMKGIZWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-3-4-10(9(5-8)6-12)14(2)7-11(13)15/h3-5H,7H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2-cyano-N,4-dimethylanilino)acetamide?
2-(2-cyano-N,4-dimethylanilino)acetamide has a molecular weight of 203.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-N,4-dimethylanilino)acetamide is sourced from PubChem (CID 107927039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).