(Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide

C15H19N3O — CID 108851162

IUPAC(Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCCN/C=C(/C#N)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C15H19N3O/c1-5-17-9-13(8-16)15(19)18-14-11(3)6-10(2)7-12(14)4/h6-7,9,17H,5H2,1-4H3,(H,18,19)/b13-9-
InChIKeyJZCBEYXYUIJFLX-LCYFTJDESA-N
MW257.34 g/mol
LogP2.57
Rot. Bonds4

About (Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide

(Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide (PubChem CID 108851162) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide
PubChem CID108851162
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCCN/C=C(/C#N)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C15H19N3O/c1-5-17-9-13(8-16)15(19)18-14-11(3)6-10(2)7-12(14)4/h6-7,9,17H,5H2,1-4H3,(H,18,19)/b13-9-
InChIKeyJZCBEYXYUIJFLX-LCYFTJDESA-N
XLogP2.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-ethoxypropylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851056
(Z)-3-[(4-chlorophenyl)methylamino]-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851071
(Z)-2-cyano-3-[(3-fluorophenyl)methylamino]-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851340
(Z)-2-cyano-3-[2-(3,4-diethoxyphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851242
4-[[(Z)-2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-enyl]amino]benzoic acid
CID 108851027
(Z)-2-cyano-3-[2-(4-sulfamoylphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851249
(Z)-2-cyano-N-(4-methylphenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108817262
(Z)-2-cyano-3-(1H-1,2,4-triazol-5-ylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851244
(Z)-2-cyano-3-morpholin-4-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851082
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
(Z)-2-cyano-N-(2-methyl-6-propan-2-ylphenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108822483
(E)-3-(2-chlorophenyl)-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 7967386

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide (CID 108851162) is (Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide is CCN/C=C(/C#N)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of (Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The InChIKey is JZCBEYXYUIJFLX-LCYFTJDESA-N. The full InChI is InChI=1S/C15H19N3O/c1-5-17-9-13(8-16)15(19)18-14-11(3)6-10(2)7-12(14)4/h6-7,9,17H,5H2,1-4H3,(H,18,19)/b13-9-.
What are the key properties of (Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide has a molecular weight of 257.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(ethylamino)-N-(2,4,6-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 108851162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).