(Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide

C17H22N4O2 — CID 108817294

IUPAC(Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NCCN2CCOCC2)cc1
InChIInChI=1S/C17H22N4O2/c1-14-2-4-16(5-3-14)20-17(22)15(12-18)13-19-6-7-21-8-10-23-11-9-21/h2-5,13,19H,6-11H2,1H3,(H,20,22)/b15-13-
InChIKeyDOBGVJBSFWRZJL-SQFISAMPSA-N
MW314.39 g/mol
LogP1.26
Rot. Bonds6

About (Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide

(Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide (PubChem CID 108817294) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide
PubChem CID108817294
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NCCN2CCOCC2)cc1
InChIInChI=1S/C17H22N4O2/c1-14-2-4-16(5-3-14)20-17(22)15(12-18)13-19-6-7-21-8-10-23-11-9-21/h2-5,13,19H,6-11H2,1H3,(H,20,22)/b15-13-
InChIKeyDOBGVJBSFWRZJL-SQFISAMPSA-N
XLogP1.26
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-N-(3,4-dichlorophenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide
CID 108821769
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(3-nitrophenyl)prop-2-enamide
CID 108853362
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylprop-2-enamide
CID 108829587
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108839999
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide
CID 108857472
(E)-2-cyano-3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842847
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835157
(E)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide
CID 52683211
(Z)-2-(morpholine-4-carbonyl)-3-(2-morpholin-4-ylethylamino)prop-2-enenitrile
CID 108843675
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862997
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863132
(Z)-2-cyano-3-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863182

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide (CID 108817294) is (Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\NCCN2CCOCC2)cc1.
What is the InChIKey of (Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide?
The InChIKey is DOBGVJBSFWRZJL-SQFISAMPSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14-2-4-16(5-3-14)20-17(22)15(12-18)13-19-6-7-21-8-10-23-11-9-21/h2-5,13,19H,6-11H2,1H3,(H,20,22)/b15-13-.
What are the key properties of (Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide?
(Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide has a molecular weight of 314.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide is sourced from PubChem (CID 108817294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).