2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide

C14H17N3O — CID 171149261

IUPAC2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)C(C#N)=CN(C)C)cc1
InChIInChI=1S/C14H17N3O/c1-4-11-5-7-13(8-6-11)16-14(18)12(9-15)10-17(2)3/h5-8,10H,4H2,1-3H3,(H,16,18)
InChIKeyJCSNCXWNVBHJOA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds4

About 2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide

2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide (PubChem CID 171149261) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
PubChem CID171149261
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)C(C#N)=CN(C)C)cc1
InChIInChI=1S/C14H17N3O/c1-4-11-5-7-13(8-6-11)16-14(18)12(9-15)10-17(2)3/h5-8,10H,4H2,1-3H3,(H,16,18)
InChIKeyJCSNCXWNVBHJOA-UHFFFAOYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 154854308
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
(E)-2-cyano-3-(dimethylamino)-N-pyridin-4-ylprop-2-enamide
CID 2799818
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide
CID 108818617
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 2378159
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214
(Z)-3-[butyl(methyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828201
(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108818136
(Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide
CID 50856073
methyl 4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]benzoate
CID 1271868
2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4002691
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713671

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide (CID 171149261) is 2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide is CCc1ccc(NC(=O)C(C#N)=CN(C)C)cc1.
What is the InChIKey of 2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide?
The InChIKey is JCSNCXWNVBHJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-11-5-7-13(8-6-11)16-14(18)12(9-15)10-17(2)3/h5-8,10H,4H2,1-3H3,(H,16,18).
What are the key properties of 2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide?
2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide has a molecular weight of 243.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 171149261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).