2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide

C15H21N3O — CID 54990395

IUPAC2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ccc(C#N)cc1C
InChIInChI=1S/C15H21N3O/c1-5-8-18(11-15(19)17(3)4)14-7-6-13(10-16)9-12(14)2/h6-7,9H,5,8,11H2,1-4H3
InChIKeyVKDRZNWUBUPAJQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.17
Rot. Bonds5

About 2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide

2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide (PubChem CID 54990395) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide
PubChem CID54990395
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ccc(C#N)cc1C
InChIInChI=1S/C15H21N3O/c1-5-8-18(11-15(19)17(3)4)14-7-6-13(10-16)9-12(14)2/h6-7,9H,5,8,11H2,1-4H3
InChIKeyVKDRZNWUBUPAJQ-UHFFFAOYSA-N
XLogP2.17
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
CID 55031101
2-(2-bromo-4-cyano-N-propylanilino)-N-methylacetamide
CID 82797275
2-(3-chloro-2-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 62495381
2-[(3-cyanophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 54978960
2-[4-cyano-N-propyl-2-(trifluoromethyl)anilino]acetic acid
CID 122051561
2-(3-bromo-4-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 107276141
3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 47356566
4-[bis(2-methoxyethyl)amino]-3-methylbenzonitrile
CID 61418646
2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
CID 60929299
2-(N-butan-2-yl-4-cyano-2-methylanilino)acetic acid
CID 54934226
2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120856
2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61060009

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide (CID 54990395) is 2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1ccc(C#N)cc1C.
What is the InChIKey of 2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide?
The InChIKey is VKDRZNWUBUPAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-8-18(11-15(19)17(3)4)14-7-6-13(10-16)9-12(14)2/h6-7,9H,5,8,11H2,1-4H3.
What are the key properties of 2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide?
2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide has a molecular weight of 259.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 54990395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).