(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide

C18H24N4O2 — CID 108862997

IUPAC(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCc1ccc(N/C=C(/C#N)C(=O)NCCN2CCOCC2)c(C)c1
InChIInChI=1S/C18H24N4O2/c1-14-3-4-17(15(2)11-14)21-13-16(12-19)18(23)20-5-6-22-7-9-24-10-8-22/h3-4,11,13,21H,5-10H2,1-2H3,(H,20,23)/b16-13-
InChIKeyJEWNGHIBAVZERX-SSZFMOIBSA-N
MW328.42 g/mol
LogP1.57
Rot. Bonds6

About (Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide

(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 108862997) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID108862997
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCc1ccc(N/C=C(/C#N)C(=O)NCCN2CCOCC2)c(C)c1
InChIInChI=1S/C18H24N4O2/c1-14-3-4-17(15(2)11-14)21-13-16(12-19)18(23)20-5-6-22-7-9-24-10-8-22/h3-4,11,13,21H,5-10H2,1-2H3,(H,20,23)/b16-13-
InChIKeyJEWNGHIBAVZERX-SSZFMOIBSA-N
XLogP1.57
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863060
(E)-2-cyano-3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842847
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108862908
(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862978
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863132
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862882
(Z)-2-cyano-3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863157
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836628
6-[[(Z)-2-cyano-3-(2,4-dimethylanilino)prop-2-enoyl]amino]hexanoic acid
CID 108845152
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108863096
(Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide
CID 108817294
(E)-3-(4-tert-butylphenyl)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 845852

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 108862997) is (Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide is Cc1ccc(N/C=C(/C#N)C(=O)NCCN2CCOCC2)c(C)c1.
What is the InChIKey of (Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is JEWNGHIBAVZERX-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-3-4-17(15(2)11-14)21-13-16(12-19)18(23)20-5-6-22-7-9-24-10-8-22/h3-4,11,13,21H,5-10H2,1-2H3,(H,20,23)/b16-13-.
What are the key properties of (Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 328.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 108862997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).