4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine

C34H42N2O4 — CID 24753965

IUPAC4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine
SMILESCCC(=C(c1ccc(OCCN2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C34H42N2O4/c1-2-33(28-6-4-3-5-7-28)34(29-8-12-31(13-9-29)39-26-20-35-16-22-37-23-17-35)30-10-14-32(15-11-30)40-27-21-36-18-24-38-25-19-36/h3-15H,2,16-27H2,1H3
InChIKeySUUSHNJKHBMTFM-UHFFFAOYSA-N
MW542.72 g/mol
LogP5.48
Rot. Bonds12

About 4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine

4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine (PubChem CID 24753965) has the molecular formula C34H42N2O4 and a molecular weight of 542.72 g/mol. Its IUPAC name is 4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine
PubChem CID24753965
Molecular FormulaC34H42N2O4
Molecular Weight542.72 g/mol
Exact Mass542.31
IUPAC Name4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine
SMILESCCC(=C(c1ccc(OCCN2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C34H42N2O4/c1-2-33(28-6-4-3-5-7-28)34(29-8-12-31(13-9-29)39-26-20-35-16-22-37-23-17-35)30-10-14-32(15-11-30)40-27-21-36-18-24-38-25-19-36/h3-15H,2,16-27H2,1H3
InChIKeySUUSHNJKHBMTFM-UHFFFAOYSA-N
XLogP5.48
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.72
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine (CID 24753965) is 4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine is CCC(=C(c1ccc(OCCN2CCOCC2)cc1)c1ccc(OCCN2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine?
The InChIKey is SUUSHNJKHBMTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2O4/c1-2-33(28-6-4-3-5-7-28)34(29-8-12-31(13-9-29)39-26-20-35-16-22-37-23-17-35)30-10-14-32(15-11-30)40-27-21-36-18-24-38-25-19-36/h3-15H,2,16-27H2,1H3.
What are the key properties of 4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine?
4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine has a molecular weight of 542.72 g/mol, XLogP of 5.48, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 24753965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).