2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide

C21H27ClN6O5 — CID 23607173

IUPAC2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H27ClN6O5/c22-16-3-1-2-4-17(16)33-15-18(29)23-5-10-32-21-25-19(27-6-11-30-12-7-27)24-20(26-21)28-8-13-31-14-9-28/h1-4H,5-15H2,(H,23,29)
InChIKeyOMHINYNOEKMKMF-UHFFFAOYSA-N
MW478.94 g/mol
LogP0.77
Rot. Bonds9

About 2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide

2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (PubChem CID 23607173) has the molecular formula C21H27ClN6O5 and a molecular weight of 478.94 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
PubChem CID23607173
Molecular FormulaC21H27ClN6O5
Molecular Weight478.94 g/mol
Exact Mass478.17
IUPAC Name2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H27ClN6O5/c22-16-3-1-2-4-17(16)33-15-18(29)23-5-10-32-21-25-19(27-6-11-30-12-7-27)24-20(26-21)28-8-13-31-14-9-28/h1-4H,5-15H2,(H,23,29)
InChIKeyOMHINYNOEKMKMF-UHFFFAOYSA-N
XLogP0.77
TPSA111.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (CID 23607173) is 2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is O=C(COc1ccccc1Cl)NCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The InChIKey is OMHINYNOEKMKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O5/c22-16-3-1-2-4-17(16)33-15-18(29)23-5-10-32-21-25-19(27-6-11-30-12-7-27)24-20(26-21)28-8-13-31-14-9-28/h1-4H,5-15H2,(H,23,29).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide has a molecular weight of 478.94 g/mol, XLogP of 0.77, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 23607173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).