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

C15H24N6O4 — CID 2019642

IUPACN-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H24N6O4/c1-12(22)16-2-7-25-15-18-13(20-3-8-23-9-4-20)17-14(19-15)21-5-10-24-11-6-21/h2-11H2,1H3,(H,16,22)
InChIKeyJPUNSPFNCDALSY-UHFFFAOYSA-N
MW352.40 g/mol
LogP-0.94
Rot. Bonds6

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

N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (PubChem CID 2019642) has the molecular formula C15H24N6O4 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
PubChem CID2019642
Molecular FormulaC15H24N6O4
Molecular Weight352.40 g/mol
Exact Mass352.19
IUPAC NameN-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H24N6O4/c1-12(22)16-2-7-25-15-18-13(20-3-8-23-9-4-20)17-14(19-15)21-5-10-24-11-6-21/h2-11H2,1H3,(H,16,22)
InChIKeyJPUNSPFNCDALSY-UHFFFAOYSA-N
XLogP-0.94
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The IUPAC name of N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (CID 2019642) is N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The canonical SMILES for N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is CC(=O)NCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The InChIKey is JPUNSPFNCDALSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O4/c1-12(22)16-2-7-25-15-18-13(20-3-8-23-9-4-20)17-14(19-15)21-5-10-24-11-6-21/h2-11H2,1H3,(H,16,22).
What are the key properties of N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide has a molecular weight of 352.40 g/mol, XLogP of -0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 2019642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).