4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine

C24H28N2O2 — CID 21292693

IUPAC4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine
SMILESC=CC=C(c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28N2O2/c1-2-3-24(20-4-8-22(9-5-20)25-12-16-27-17-13-25)21-6-10-23(11-7-21)26-14-18-28-19-15-26/h2-11H,1,12-19H2
InChIKeyUIHFDGJHHUZTBJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.98
Rot. Bonds5

About 4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine

4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine (PubChem CID 21292693) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine
PubChem CID21292693
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine
SMILESC=CC=C(c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28N2O2/c1-2-3-24(20-4-8-22(9-5-20)25-12-16-27-17-13-25)21-6-10-23(11-7-21)26-14-18-28-19-15-26/h2-11H,1,12-19H2
InChIKeyUIHFDGJHHUZTBJ-UHFFFAOYSA-N
XLogP3.98
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[4-[1,3,3-tris(4-morpholin-4-ylphenyl)prop-1-enyl]phenyl]morpholine;hydrochloride
CID 173333244
4-[4-(1-fluoroethenyl)phenyl]morpholine
CID 125492138
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
2-(4-morpholin-4-ylphenyl)prop-2-en-1-ol
CID 118140853
4-morpholin-4-ylbenzenecarbothioamide
CID 2795360
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
CID 146007688
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine?
The IUPAC name of 4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine (CID 21292693) is 4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine?
The canonical SMILES for 4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine is C=CC=C(c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine?
The InChIKey is UIHFDGJHHUZTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-2-3-24(20-4-8-22(9-5-20)25-12-16-27-17-13-25)21-6-10-23(11-7-21)26-14-18-28-19-15-26/h2-11H,1,12-19H2.
What are the key properties of 4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine?
4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine has a molecular weight of 376.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-morpholin-4-ylphenyl)buta-1,3-dienyl]phenyl]morpholine is sourced from PubChem (CID 21292693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).