3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide

C15H16N4O — CID 17194664

IUPAC3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC=C(C#N)C#N)c1
InChIInChI=1S/C15H16N4O/c1-3-19(4-2)15(20)13-6-5-7-14(8-13)18-11-12(9-16)10-17/h5-8,11,18H,3-4H2,1-2H3
InChIKeyGWRNALUXNKWFTA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.51
Rot. Bonds5

About 3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide

3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide (PubChem CID 17194664) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide
PubChem CID17194664
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC=C(C#N)C#N)c1
InChIInChI=1S/C15H16N4O/c1-3-19(4-2)15(20)13-6-5-7-14(8-13)18-11-12(9-16)10-17/h5-8,11,18H,3-4H2,1-2H3
InChIKeyGWRNALUXNKWFTA-UHFFFAOYSA-N
XLogP2.51
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-N,N-diethylbenzamide
CID 169343475
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide
CID 17196267
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
ethyl (E)-2-cyano-3-[3-(dimethylcarbamoyl)anilino]prop-2-enoate
CID 17231934
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
CID 168637498
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54832875
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide?
The IUPAC name of 3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide (CID 17194664) is 3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide.
What is the SMILES notation for 3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide?
The canonical SMILES for 3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC=C(C#N)C#N)c1.
What is the InChIKey of 3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide?
The InChIKey is GWRNALUXNKWFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-19(4-2)15(20)13-6-5-7-14(8-13)18-11-12(9-16)10-17/h5-8,11,18H,3-4H2,1-2H3.
What are the key properties of 3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide?
3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide has a molecular weight of 268.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide is sourced from PubChem (CID 17194664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).