3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane

C44H70N4O8 — CID 58000804

IUPAC3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane
SMILESc1cc(OCCCN2CCOCC2)c(OCCCN2CCOCC2)cc1CCCCc1ccc(OCCCN2CCOCC2)c(OCCCN2CCCOC2)c1
InChIInChI=1S/C44H70N4O8/c1(8-39-10-12-41(53-26-4-14-45-19-30-49-31-20-45)43(36-39)55-28-6-16-47-23-34-51-35-24-47)2-9-40-11-13-42(54-27-5-15-46-21-32-50-33-22-46)44(37-40)56-29-7-18-48-17-3-25-52-38-48/h10-13,36-37H,1-9,14-35,38H2
InChIKeyMYYMUGOBUOGYJR-UHFFFAOYSA-N
MW783.06 g/mol
LogP5.00
Rot. Bonds25

About 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane

3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane (PubChem CID 58000804) has the molecular formula C44H70N4O8 and a molecular weight of 783.06 g/mol. Its IUPAC name is 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane.

Molecular Properties

Compound Name3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane
PubChem CID58000804
Molecular FormulaC44H70N4O8
Molecular Weight783.06 g/mol
Exact Mass782.52
IUPAC Name3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane
SMILESc1cc(OCCCN2CCOCC2)c(OCCCN2CCOCC2)cc1CCCCc1ccc(OCCCN2CCOCC2)c(OCCCN2CCCOC2)c1
InChIInChI=1S/C44H70N4O8/c1(8-39-10-12-41(53-26-4-14-45-19-30-49-31-20-45)43(36-39)55-28-6-16-47-23-34-51-35-24-47)2-9-40-11-13-42(54-27-5-15-46-21-32-50-33-22-46)44(37-40)56-29-7-18-48-17-3-25-52-38-48/h10-13,36-37H,1-9,14-35,38H2
InChIKeyMYYMUGOBUOGYJR-UHFFFAOYSA-N
XLogP5.00
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.06
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
2-[3-(1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62989022

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane?
The IUPAC name of 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane (CID 58000804) is 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane.
What is the SMILES notation for 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane?
The canonical SMILES for 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane is c1cc(OCCCN2CCOCC2)c(OCCCN2CCOCC2)cc1CCCCc1ccc(OCCCN2CCOCC2)c(OCCCN2CCCOC2)c1.
What is the InChIKey of 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane?
The InChIKey is MYYMUGOBUOGYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H70N4O8/c1(8-39-10-12-41(53-26-4-14-45-19-30-49-31-20-45)43(36-39)55-28-6-16-47-23-34-51-35-24-47)2-9-40-11-13-42(54-27-5-15-46-21-32-50-33-22-46)44(37-40)56-29-7-18-48-17-3-25-52-38-48/h10-13,36-37H,1-9,14-35,38H2.
What are the key properties of 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane?
3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane has a molecular weight of 783.06 g/mol, XLogP of 5.00, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[4-[3,4-bis(3-morpholin-4-ylpropoxy)phenyl]butyl]-2-(3-morpholin-4-ylpropoxy)phenoxy]propyl]-1,3-oxazinane is sourced from PubChem (CID 58000804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).