(E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide

C15H18Cl2N2O2 — CID 134921836

IUPAC(E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide
SMILESCc1ccc(NC(=O)/C=C(\C(Cl)Cl)N2CCOCC2)cc1
InChIInChI=1S/C15H18Cl2N2O2/c1-11-2-4-12(5-3-11)18-14(20)10-13(15(16)17)19-6-8-21-9-7-19/h2-5,10,15H,6-9H2,1H3,(H,18,20)/b13-10+
InChIKeyKCZNBWFDLCBRDI-JLHYYAGUSA-N
MW329.23 g/mol
LogP2.95
Rot. Bonds4

About (E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide

(E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide (PubChem CID 134921836) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is (E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide
PubChem CID134921836
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide
SMILESCc1ccc(NC(=O)/C=C(\C(Cl)Cl)N2CCOCC2)cc1
InChIInChI=1S/C15H18Cl2N2O2/c1-11-2-4-12(5-3-11)18-14(20)10-13(15(16)17)19-6-8-21-9-7-19/h2-5,10,15H,6-9H2,1H3,(H,18,20)/b13-10+
InChIKeyKCZNBWFDLCBRDI-JLHYYAGUSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8588773
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide
CID 5348323
N-(4-chlorophenyl)-3-(morpholin-4-ylamino)but-2-enamide
CID 171316160
2-amino-2-(4-methylphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 120667122
2-(4-methylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194734
(E)-N-(4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2664919
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide
CID 8785626
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812

Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide?
The IUPAC name of (E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide (CID 134921836) is (E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for (E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide?
The canonical SMILES for (E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide is Cc1ccc(NC(=O)/C=C(\C(Cl)Cl)N2CCOCC2)cc1.
What is the InChIKey of (E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide?
The InChIKey is KCZNBWFDLCBRDI-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-11-2-4-12(5-3-11)18-14(20)10-13(15(16)17)19-6-8-21-9-7-19/h2-5,10,15H,6-9H2,1H3,(H,18,20)/b13-10+.
What are the key properties of (E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide?
(E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide has a molecular weight of 329.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dichloro-N-(4-methylphenyl)-3-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 134921836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).