(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide

C23H28N4O — CID 108840164

IUPAC(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide
SMILESCCN(CC)c1ccc(N/C=C(/C#N)C(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C23H28N4O/c1-5-27(6-2)21-12-13-22(17(3)14-21)25-16-20(15-24)23(28)26-18(4)19-10-8-7-9-11-19/h7-14,16,18,25H,5-6H2,1-4H3,(H,26,28)/b20-16-
InChIKeyZCGVUERGSPVTDW-SILNSSARSA-N
MW376.50 g/mol
LogP4.54
Rot. Bonds8

About (Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide

(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide (PubChem CID 108840164) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide
PubChem CID108840164
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide
SMILESCCN(CC)c1ccc(N/C=C(/C#N)C(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C23H28N4O/c1-5-27(6-2)21-12-13-22(17(3)14-21)25-16-20(15-24)23(28)26-18(4)19-10-8-7-9-11-19/h7-14,16,18,25H,5-6H2,1-4H3,(H,26,28)/b20-16-
InChIKeyZCGVUERGSPVTDW-SILNSSARSA-N
XLogP4.54
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-(diethylamino)-2-methylanilino]-N-(2-hydroxyphenyl)prop-2-enamide chloride
CID 108855391
(Z)-N-(2-chlorophenyl)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108824542
N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
CID 108946023
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
CID 108848644
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108821933
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108829006
(Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide
CID 108831610
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(4-methoxyphenyl)prop-2-enamide
CID 108828637
(Z)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide
CID 108853900
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide
CID 108840055
ethyl 4-[[(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enoyl]amino]benzoate
CID 108824172
ethyl 2-[[(Z)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]amino]acetate
CID 108840195

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide (CID 108840164) is (Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide is CCN(CC)c1ccc(N/C=C(/C#N)C(=O)NC(C)c2ccccc2)c(C)c1.
What is the InChIKey of (Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is ZCGVUERGSPVTDW-SILNSSARSA-N. The full InChI is InChI=1S/C23H28N4O/c1-5-27(6-2)21-12-13-22(17(3)14-21)25-16-20(15-24)23(28)26-18(4)19-10-8-7-9-11-19/h7-14,16,18,25H,5-6H2,1-4H3,(H,26,28)/b20-16-.
What are the key properties of (Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide?
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 376.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 108840164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).