4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide

C17H20N4O — CID 17196267

IUPAC4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC=C(C#N)C#N)cc1
InChIInChI=1S/C17H20N4O/c1-3-9-21(10-4-2)17(22)15-5-7-16(8-6-15)20-13-14(11-18)12-19/h5-8,13,20H,3-4,9-10H2,1-2H3
InChIKeyWKOUCRZHYWVAMX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.29
Rot. Bonds7

About 4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide

4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide (PubChem CID 17196267) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide
PubChem CID17196267
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC=C(C#N)C#N)cc1
InChIInChI=1S/C17H20N4O/c1-3-9-21(10-4-2)17(22)15-5-7-16(8-6-15)20-13-14(11-18)12-19/h5-8,13,20H,3-4,9-10H2,1-2H3
InChIKeyWKOUCRZHYWVAMX-UHFFFAOYSA-N
XLogP3.29
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.29
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

propyl 4-(2,2-dicyanoethenylamino)benzoate
CID 17134916
4-(2,2-dicyanoethenylamino)benzoic acid
CID 168511874
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
tert-butyl 4-(2,2-dicyanoethenylamino)benzoate
CID 168545502
4-[(2-aminoacetyl)amino]-N,N-dipropylbenzamide
CID 119282805
4-(2,2-dicyanoethenylamino)-N-(2-phenylethyl)benzamide
CID 47609958
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
propan-2-yl 4-(2,2-dicyanoethenylamino)benzoate
CID 168545508
4-(2,2-dicyanoethenylamino)-N-(2-ethylphenyl)benzamide
CID 168542555
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-benzamido-N-(cyanomethyl)-N-propylbenzamide
CID 52729751
4-(cyclopropanecarbonylamino)-N,N-dipropylbenzamide
CID 17196138

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide?
The IUPAC name of 4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide (CID 17196267) is 4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide.
What is the SMILES notation for 4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide?
The canonical SMILES for 4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC=C(C#N)C#N)cc1.
What is the InChIKey of 4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide?
The InChIKey is WKOUCRZHYWVAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-9-21(10-4-2)17(22)15-5-7-16(8-6-15)20-13-14(11-18)12-19/h5-8,13,20H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide?
4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dicyanoethenylamino)-N,N-dipropylbenzamide is sourced from PubChem (CID 17196267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).