4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine

C35H44N2O5 — CID 155927786

IUPAC4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine
SMILESCOc1ccc(CC(C)=C(c2ccc(OCCN3CCOCC3)cc2)c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C35H44N2O5/c1-28(27-29-3-9-32(38-2)10-4-29)35(30-5-11-33(12-6-30)41-25-19-36-15-21-39-22-16-36)31-7-13-34(14-8-31)42-26-20-37-17-23-40-24-18-37/h3-14H,15-27H2,1-2H3
InChIKeyJKIHOQXQKBLPDH-UHFFFAOYSA-N
MW572.75 g/mol
LogP5.18
Rot. Bonds13

About 4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine

4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine (PubChem CID 155927786) has the molecular formula C35H44N2O5 and a molecular weight of 572.75 g/mol. Its IUPAC name is 4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine
PubChem CID155927786
Molecular FormulaC35H44N2O5
Molecular Weight572.75 g/mol
Exact Mass572.33
IUPAC Name4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine
SMILESCOc1ccc(CC(C)=C(c2ccc(OCCN3CCOCC3)cc2)c2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C35H44N2O5/c1-28(27-29-3-9-32(38-2)10-4-29)35(30-5-11-33(12-6-30)41-25-19-36-15-21-39-22-16-36)31-7-13-34(14-8-31)42-26-20-37-17-23-40-24-18-37/h3-14H,15-27H2,1-2H3
InChIKeyJKIHOQXQKBLPDH-UHFFFAOYSA-N
XLogP5.18
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine (CID 155927786) is 4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine is COc1ccc(CC(C)=C(c2ccc(OCCN3CCOCC3)cc2)c2ccc(OCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine?
The InChIKey is JKIHOQXQKBLPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N2O5/c1-28(27-29-3-9-32(38-2)10-4-29)35(30-5-11-33(12-6-30)41-25-19-36-15-21-39-22-16-36)31-7-13-34(14-8-31)42-26-20-37-17-23-40-24-18-37/h3-14H,15-27H2,1-2H3.
What are the key properties of 4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine?
4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine has a molecular weight of 572.75 g/mol, XLogP of 5.18, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(4-methoxyphenyl)-2-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]prop-1-enyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 155927786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).