4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide

C16H20N2O — CID 112516514

IUPAC4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(C#N)c1ccc(C)cc1C
InChIInChI=1S/C16H20N2O/c1-4-9-18-16(19)8-6-14(11-17)15-7-5-12(2)10-13(15)3/h4-5,7,10,14H,1,6,8-9H2,2-3H3,(H,18,19)
InChIKeyBLVDEHGHKFMFGS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.99
Rot. Bonds6

About 4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide

4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide (PubChem CID 112516514) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide
PubChem CID112516514
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(C#N)c1ccc(C)cc1C
InChIInChI=1S/C16H20N2O/c1-4-9-18-16(19)8-6-14(11-17)15-7-5-12(2)10-13(15)3/h4-5,7,10,14H,1,6,8-9H2,2-3H3,(H,18,19)
InChIKeyBLVDEHGHKFMFGS-UHFFFAOYSA-N
XLogP2.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenyl)-4-cyano-N-prop-2-enylbutanamide
CID 112517061
4-cyano-4-(3-fluorophenyl)-N-prop-2-enylbutanamide
CID 112515887
4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide
CID 94272860
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861
3-amino-2-(2,4-dimethylphenyl)propanenitrile
CID 82503365
5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide
CID 112510395
3-cyano-3-(3-methoxyphenyl)-N-prop-2-enylpropanamide
CID 112511360
ethyl 6-cyano-6-(2,4-dimethylphenyl)-3,3-dimethyl-2-oxohexanoate
CID 54317549
4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
CID 112509842
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide
CID 9442218
3-(2,4-dimethylphenyl)-N-methylbutanamide
CID 82077150

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide?
The IUPAC name of 4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide (CID 112516514) is 4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide?
The canonical SMILES for 4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide is C=CCNC(=O)CCC(C#N)c1ccc(C)cc1C.
What is the InChIKey of 4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide?
The InChIKey is BLVDEHGHKFMFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-9-18-16(19)8-6-14(11-17)15-7-5-12(2)10-13(15)3/h4-5,7,10,14H,1,6,8-9H2,2-3H3,(H,18,19).
What are the key properties of 4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide?
4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide has a molecular weight of 256.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide is sourced from PubChem (CID 112516514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).