(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide

C22H26N4O — CID 108857959

IUPAC(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide
SMILESCCN(CC)c1ccc(N/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H26N4O/c1-5-26(6-2)20-10-8-19(9-11-20)24-15-18(14-23)22(27)25-21-12-7-16(3)13-17(21)4/h7-13,15,24H,5-6H2,1-4H3,(H,25,27)/b18-15-
InChIKeyXMLQEXFLZDNOEQ-SDXDJHTJSA-N
MW362.48 g/mol
LogP4.61
Rot. Bonds7

About (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide

(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide (PubChem CID 108857959) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide
PubChem CID108857959
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide
SMILESCCN(CC)c1ccc(N/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C22H26N4O/c1-5-26(6-2)20-10-8-19(9-11-20)24-15-18(14-23)22(27)25-21-12-7-16(3)13-17(21)4/h7-13,15,24H,5-6H2,1-4H3,(H,25,27)/b18-15-
InChIKeyXMLQEXFLZDNOEQ-SDXDJHTJSA-N
XLogP4.61
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.61
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-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857925
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[4-(diethylamino)anilino]prop-2-enamide
CID 108828963
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(4-methoxyphenyl)prop-2-enamide
CID 108828637
ethyl 4-[[(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enoyl]amino]benzoate
CID 108824172
(Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857985
(Z)-N-(4-butylphenyl)-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108828093
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108821933
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(2-hydroxyphenyl)prop-2-enamide chloride
CID 108855391
(Z)-3-(3-chloro-4-fluoroanilino)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857958
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857894
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108858027
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108829006

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide (CID 108857959) is (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide is CCN(CC)c1ccc(N/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide?
The InChIKey is XMLQEXFLZDNOEQ-SDXDJHTJSA-N. The full InChI is InChI=1S/C22H26N4O/c1-5-26(6-2)20-10-8-19(9-11-20)24-15-18(14-23)22(27)25-21-12-7-16(3)13-17(21)4/h7-13,15,24H,5-6H2,1-4H3,(H,25,27)/b18-15-.
What are the key properties of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide?
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide has a molecular weight of 362.48 g/mol, XLogP of 4.61, 7 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)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 108857959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).