ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate

C22H25NO3 — CID 89048082

IUPACethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
SMILESCCOC(=O)c1ccc(/C=C\c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H25NO3/c1-2-26-22(24)21-11-9-19(10-12-21)4-3-18-5-7-20(8-6-18)17-23-13-15-25-16-14-23/h3-12H,2,13-17H2,1H3/b4-3-
InChIKeyZFLFPIYZNWVYOR-ARJAWSKDSA-N
MW351.45 g/mol
LogP3.87
Rot. Bonds6

About ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate

ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate (PubChem CID 89048082) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
PubChem CID89048082
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Nameethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
SMILESCCOC(=O)c1ccc(/C=C\c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H25NO3/c1-2-26-22(24)21-11-9-19(10-12-21)4-3-18-5-7-20(8-6-18)17-23-13-15-25-16-14-23/h3-12H,2,13-17H2,1H3/b4-3-
InChIKeyZFLFPIYZNWVYOR-ARJAWSKDSA-N
XLogP3.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
CID 24724267
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298
methyl 4-[(E)-4-[4-(morpholin-4-ylmethyl)phenyl]but-1-en-3-ynyl]benzoate
CID 59416999
ethyl 4-(1,4,7-triazonan-1-ylmethyl)benzoate
CID 165144357
4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine
CID 59417267
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-[(4-fluoro-4-formylpiperidin-1-yl)methyl]benzoate
CID 137422493
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768690
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzamide
CID 89048229

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate?
The IUPAC name of ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate (CID 89048082) is ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate.
What is the SMILES notation for ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate?
The canonical SMILES for ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate is CCOC(=O)c1ccc(/C=C\c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate?
The InChIKey is ZFLFPIYZNWVYOR-ARJAWSKDSA-N. The full InChI is InChI=1S/C22H25NO3/c1-2-26-22(24)21-11-9-19(10-12-21)4-3-18-5-7-20(8-6-18)17-23-13-15-25-16-14-23/h3-12H,2,13-17H2,1H3/b4-3-.
What are the key properties of ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate?
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate has a molecular weight of 351.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate is sourced from PubChem (CID 89048082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).