(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide

C21H20N4O — CID 108826578

IUPAC(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide
SMILESCCc1cccc(CC)c1N/C=C(/C#N)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C21H20N4O/c1-3-15-9-7-10-16(4-2)20(15)24-14-18(13-23)21(26)25-19-11-6-5-8-17(19)12-22/h5-11,14,24H,3-4H2,1-2H3,(H,25,26)/b18-14-
InChIKeyPGFLEJVMQYDWBX-JXAWBTAJSA-N
MW344.42 g/mol
LogP4.14
Rot. Bonds6

About (Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide

(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide (PubChem CID 108826578) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide
PubChem CID108826578
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide
SMILESCCc1cccc(CC)c1N/C=C(/C#N)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C21H20N4O/c1-3-15-9-7-10-16(4-2)20(15)24-14-18(13-23)21(26)25-19-11-6-5-8-17(19)12-22/h5-11,14,24H,3-4H2,1-2H3,(H,25,26)/b18-14-
InChIKeyPGFLEJVMQYDWBX-JXAWBTAJSA-N
XLogP4.14
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108826583
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-nitroanilino)prop-2-enamide
CID 108849144
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(2-ethyl-6-methylanilino)prop-2-enamide
CID 108823601
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108824495
methyl 3-[[(Z)-2-cyano-3-(2-cyanoanilino)-3-oxoprop-1-enyl]amino]propanoate
CID 108826809
(Z)-2-cyano-N-(2-cyanophenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 108826655
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-phenylsulfanylanilino)prop-2-enamide
CID 108849253
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835124
(Z)-2-cyano-N-(2-cyanophenyl)-3-(4-iodo-2-methylanilino)prop-2-enamide
CID 108826607
(Z)-2-cyano-N-(2-cyanophenyl)-3-[(6-methyl-3-pyridinyl)amino]prop-2-enamide
CID 108826838
(Z)-3-[(5-bromopyrimidin-2-yl)amino]-2-cyano-N-(2-cyanophenyl)prop-2-enamide
CID 108826840

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide (CID 108826578) is (Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide is CCc1cccc(CC)c1N/C=C(/C#N)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide?
The InChIKey is PGFLEJVMQYDWBX-JXAWBTAJSA-N. The full InChI is InChI=1S/C21H20N4O/c1-3-15-9-7-10-16(4-2)20(15)24-14-18(13-23)21(26)25-19-11-6-5-8-17(19)12-22/h5-11,14,24H,3-4H2,1-2H3,(H,25,26)/b18-14-.
What are the key properties of (Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide?
(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide has a molecular weight of 344.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide is sourced from PubChem (CID 108826578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).