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

C21H30N4O — CID 108831610

IUPAC(Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide
SMILESCCN(CC)c1ccc(N/C=C(/C#N)C(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C21H30N4O/c1-4-25(5-2)19-11-12-20(16(3)13-19)23-15-17(14-22)21(26)24-18-9-7-6-8-10-18/h11-13,15,18,23H,4-10H2,1-3H3,(H,24,26)/b17-15-
InChIKeyJEJPOHCAYKWCBH-ICFOKQHNSA-N
MW354.50 g/mol
LogP4.11
Rot. Bonds7

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

(Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide (PubChem CID 108831610) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide
PubChem CID108831610
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide
SMILESCCN(CC)c1ccc(N/C=C(/C#N)C(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C21H30N4O/c1-4-25(5-2)19-11-12-20(16(3)13-19)23-15-17(14-22)21(26)24-18-9-7-6-8-10-18/h11-13,15,18,23H,4-10H2,1-3H3,(H,24,26)/b17-15-
InChIKeyJEJPOHCAYKWCBH-ICFOKQHNSA-N
XLogP4.11
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.11
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

2-cyano-N-cyclohexyl-3-[4-(diethylamino)phenyl]prop-2-enamide
CID 3674797
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(2-hydroxyphenyl)prop-2-enamide chloride
CID 108855391
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide
CID 108840164
(Z)-N-(2-chlorophenyl)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108824542
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108829006
ethyl 4-[[(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enoyl]amino]benzoate
CID 108824172
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(4-methoxyphenyl)prop-2-enamide
CID 108828637
(Z)-2-cyano-N-cyclohexyl-3-(2,4-dichloroanilino)prop-2-enamide
CID 108831358
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide chloride
CID 108821933
(Z)-2-cyano-N-cyclododecyl-3-(2-fluoroanilino)prop-2-enamide
CID 108862661
(Z)-2-cyano-N-cyclododecyl-3-(2-methoxy-5-methylanilino)prop-2-enamide
CID 108862625
(Z)-2-cyano-N-cyclohexyl-3-(2,6-diethylanilino)prop-2-enamide
CID 108831412

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide (CID 108831610) is (Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide is CCN(CC)c1ccc(N/C=C(/C#N)C(=O)NC2CCCCC2)c(C)c1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide?
The InChIKey is JEJPOHCAYKWCBH-ICFOKQHNSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-25(5-2)19-11-12-20(16(3)13-19)23-15-17(14-22)21(26)24-18-9-7-6-8-10-18/h11-13,15,18,23H,4-10H2,1-3H3,(H,24,26)/b17-15-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide has a molecular weight of 354.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide is sourced from PubChem (CID 108831610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).