(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide

C20H20N4O2 — CID 108818617

IUPAC(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide
SMILESCCc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-3-15-4-6-17(7-5-15)22-13-16(12-21)20(26)24-19-10-8-18(9-11-19)23-14(2)25/h4-11,13,22H,3H2,1-2H3,(H,23,25)(H,24,26)/b16-13-
InChIKeyWQOPYZVCYQKSGQ-SSZFMOIBSA-N
MW348.41 g/mol
LogP3.67
Rot. Bonds6

About (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide

(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide (PubChem CID 108818617) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide
PubChem CID108818617
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide
SMILESCCc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-3-15-4-6-17(7-5-15)22-13-16(12-21)20(26)24-19-10-8-18(9-11-19)23-14(2)25/h4-11,13,22H,3H2,1-2H3,(H,23,25)(H,24,26)/b16-13-
InChIKeyWQOPYZVCYQKSGQ-SSZFMOIBSA-N
XLogP3.67
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.67
H-Bond Donors ≤ 53
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

(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 2378159
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-iodoanilino)prop-2-enamide
CID 108818847
(Z)-3-(4-acetamidoanilino)-N-(4-bromophenyl)-2-cyanoprop-2-enamide
CID 108815697
2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 171149261
(E)-2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 154854308
(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide
CID 108856600
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(3-fluoroanilino)prop-2-enamide
CID 108818841
(Z)-3-anilino-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828138
(Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide
CID 108832812
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(pentylamino)prop-2-enamide
CID 108818603
(Z)-3-(4-anilinoanilino)-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828170

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide?
The IUPAC name of (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide (CID 108818617) is (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide is CCc1ccc(N/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide?
The InChIKey is WQOPYZVCYQKSGQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-15-4-6-17(7-5-15)22-13-16(12-21)20(26)24-19-10-8-18(9-11-19)23-14(2)25/h4-11,13,22H,3H2,1-2H3,(H,23,25)(H,24,26)/b16-13-.
What are the key properties of (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide?
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide has a molecular weight of 348.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide is sourced from PubChem (CID 108818617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).