(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide

C20H20N2O — CID 17164885

IUPAC(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)17-11-8-15(9-12-17)10-13-19(23)22-18-7-5-4-6-16(18)14-21/h4-13H,1-3H3,(H,22,23)/b13-10+
InChIKeyHUVKLBLNLUHGAM-JLHYYAGUSA-N
MW304.39 g/mol
LogP4.51
Rot. Bonds3

About (E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide (PubChem CID 17164885) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide
PubChem CID17164885
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)17-11-8-15(9-12-17)10-13-19(23)22-18-7-5-4-6-16(18)14-21/h4-13H,1-3H3,(H,22,23)/b13-10+
InChIKeyHUVKLBLNLUHGAM-JLHYYAGUSA-N
XLogP4.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 99998171
3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76617104
3-(2-chlorophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 966078
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
3-(4-chloro-3-nitrophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 960318
N-(2-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 699898
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
(E)-3-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)prop-2-enamide
CID 108762807
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 71904483

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide (CID 17164885) is (E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide?
The InChIKey is HUVKLBLNLUHGAM-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(2,3)17-11-8-15(9-12-17)10-13-19(23)22-18-7-5-4-6-16(18)14-21/h4-13H,1-3H3,(H,22,23)/b13-10+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide has a molecular weight of 304.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-(2-cyanophenyl)prop-2-enamide is sourced from PubChem (CID 17164885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).