(Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide

C15H18N2O — CID 2713943

IUPAC(Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
SMILESCCc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H18N2O/c1-4-12-5-7-13(8-6-12)9-14(10-16)15(18)17-11(2)3/h5-9,11H,4H2,1-3H3,(H,17,18)/b14-9-
InChIKeyJIZDOMHSVWVKQH-ZROIWOOFSA-N
MW242.32 g/mol
LogP2.68
Rot. Bonds4

About (Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide

(Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 2713943) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
PubChem CID2713943
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
SMILESCCc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1
InChIInChI=1S/C15H18N2O/c1-4-12-5-7-13(8-6-12)9-14(10-16)15(18)17-11(2)3/h5-9,11H,4H2,1-3H3,(H,17,18)/b14-9-
InChIKeyJIZDOMHSVWVKQH-ZROIWOOFSA-N
XLogP2.68
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-(4-ethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 19175082
(E)-2-cyano-3-(4-methoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 6034042
(2Z)-2-[(4-ethylphenyl)methylidene]-5-methyl-3-oxohexanenitrile
CID 69451505
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 2378159
methyl 2-cyano-3-(4-ethylphenyl)prop-2-enoate
CID 5047473
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214
(E)-2-cyano-3-(4-morpholin-4-ylphenyl)-N-propan-2-ylprop-2-enamide
CID 7939296
methyl 4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]benzoate
CID 1271868
ethyl (Z)-2-cyano-3-(4-ethylphenyl)prop-2-enoate
CID 6379099
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713671
2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4002691
(Z)-2-cyano-N-(4-ethylphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2713670

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide (CID 2713943) is (Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide is CCc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is JIZDOMHSVWVKQH-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-12-5-7-13(8-6-12)9-14(10-16)15(18)17-11(2)3/h5-9,11H,4H2,1-3H3,(H,17,18)/b14-9-.
What are the key properties of (Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide?
(Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 242.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 2713943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).