2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide

C13H17N3O — CID 81282642

IUPAC2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide
SMILESCc1cc(N(C)CC(=O)N(C)C)ccc1C#N
InChIInChI=1S/C13H17N3O/c1-10-7-12(6-5-11(10)8-14)16(4)9-13(17)15(2)3/h5-7H,9H2,1-4H3
InChIKeyQSQOGCSRAVKHLK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.39
Rot. Bonds3

About 2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide

2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide (PubChem CID 81282642) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide
PubChem CID81282642
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide
SMILESCc1cc(N(C)CC(=O)N(C)C)ccc1C#N
InChIInChI=1S/C13H17N3O/c1-10-7-12(6-5-11(10)8-14)16(4)9-13(17)15(2)3/h5-7H,9H2,1-4H3
InChIKeyQSQOGCSRAVKHLK-UHFFFAOYSA-N
XLogP1.39
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-cyano-N,3-dimethylanilino)acetate
CID 81275854
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 43375326
2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 81281823
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]benzonitrile
CID 81282010
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylbenzonitrile
CID 114949288
2-(4-cyano-N,3-dimethylanilino)butanoic acid
CID 81273602
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N,N-diethylacetamide
CID 60581890
2-(4-amino-2-cyano-N-methylanilino)-N,N-dimethylacetamide
CID 61296548
(4-cyano-3-methylphenyl)-phenylcarbamic acid
CID 126683768
ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate
CID 81281990
2-[4-cyano-N-(cyclopropylmethyl)-3-methylanilino]acetic acid
CID 81274415
2-(3-bromo-4-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 107276141

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide (CID 81282642) is 2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide is Cc1cc(N(C)CC(=O)N(C)C)ccc1C#N.
What is the InChIKey of 2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide?
The InChIKey is QSQOGCSRAVKHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-7-12(6-5-11(10)8-14)16(4)9-13(17)15(2)3/h5-7H,9H2,1-4H3.
What are the key properties of 2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide?
2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide has a molecular weight of 231.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 81282642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).