(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide

C19H26N4O2 — CID 108862978

IUPAC(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCCc1cccc(C)c1N/C=C(/C#N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-3-16-6-4-5-15(2)18(16)22-14-17(13-20)19(24)21-7-8-23-9-11-25-12-10-23/h4-6,14,22H,3,7-12H2,1-2H3,(H,21,24)/b17-14-
InChIKeyRBLJKZBBCYPIPH-VKAVYKQESA-N
MW342.44 g/mol
LogP1.83
Rot. Bonds7

About (Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide

(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 108862978) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID108862978
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCCc1cccc(C)c1N/C=C(/C#N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-3-16-6-4-5-15(2)18(16)22-14-17(13-20)19(24)21-7-8-23-9-11-25-12-10-23/h4-6,14,22H,3,7-12H2,1-2H3,(H,21,24)/b17-14-
InChIKeyRBLJKZBBCYPIPH-VKAVYKQESA-N
XLogP1.83
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.83
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'}

Analyze (Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-propylprop-2-enamide
CID 108820244
N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 44997846
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862997
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108862908
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863132
(Z)-N-(3-butoxypropyl)-2-cyano-3-(2-ethyl-6-methylanilino)prop-2-enamide
CID 108836982
(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-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108863096
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pentylamino)prop-2-enamide
CID 108863041
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862882
(Z)-3-[[3-(aminomethyl)phenyl]methylamino]-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863021
3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053328

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 108862978) is (Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide is CCc1cccc(C)c1N/C=C(/C#N)C(=O)NCCN1CCOCC1.
What is the InChIKey of (Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is RBLJKZBBCYPIPH-VKAVYKQESA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-16-6-4-5-15(2)18(16)22-14-17(13-20)19(24)21-7-8-23-9-11-25-12-10-23/h4-6,14,22H,3,7-12H2,1-2H3,(H,21,24)/b17-14-.
What are the key properties of (Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 342.44 g/mol, XLogP of 1.83, 7 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-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 108862978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).