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

C12H15N3O — CID 60929299

IUPAC2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
SMILESCc1cc(C#N)ccc1NCC(=O)N(C)C
InChIInChI=1S/C12H15N3O/c1-9-6-10(7-13)4-5-11(9)14-8-12(16)15(2)3/h4-6,14H,8H2,1-3H3
InChIKeyISFRBFRLMMDPFQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.37
Rot. Bonds3

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

2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide (PubChem CID 60929299) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
PubChem CID60929299
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
SMILESCc1cc(C#N)ccc1NCC(=O)N(C)C
InChIInChI=1S/C12H15N3O/c1-9-6-10(7-13)4-5-11(9)14-8-12(16)15(2)3/h4-6,14H,8H2,1-3H3
InChIKeyISFRBFRLMMDPFQ-UHFFFAOYSA-N
XLogP1.37
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide
CID 133466049
N,N-bis(2-cyanoethyl)-2-(5-cyano-2-methylanilino)acetamide
CID 71919291
2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide
CID 62492640
2-(4-amino-2-cyanoanilino)-N,N-dimethylacetamide
CID 61296173
2-(2-bromo-4-cyanoanilino)-N-ethyl-N-methylacetamide
CID 104925790
2-(2-bromo-4-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107789738
7-(4-cyano-2-methylanilino)heptanoic acid
CID 54934556
3-methyl-4-(2,2,2-trifluoroethylamino)benzonitrile
CID 60930131
2-[(4-cyano-2-methylphenyl)methylsulfanyl]-N,N-dimethylacetamide
CID 114233666
4-(ethoxyamino)-3-methylbenzonitrile
CID 123976068
2-(4-cyano-2-methylanilino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 144935634
3-methyl-4-(methylamino)benzonitrile
CID 23343732

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide (CID 60929299) is 2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide is Cc1cc(C#N)ccc1NCC(=O)N(C)C.
What is the InChIKey of 2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide?
The InChIKey is ISFRBFRLMMDPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-6-10(7-13)4-5-11(9)14-8-12(16)15(2)3/h4-6,14H,8H2,1-3H3.
What are the key properties of 2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide?
2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide has a molecular weight of 217.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 60929299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).