1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine

C24H44N4O3 — CID 159350798

IUPAC1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine
SMILESCCCCc1nc(CCCC)nc(CCCC)n1.COCCN(CC(C)=O)CC(C)=O
InChIInChI=1S/C15H27N3.C9H17NO3/c1-4-7-10-13-16-14(11-8-5-2)18-15(17-13)12-9-6-3;1-8(11)6-10(4-5-13-3)7-9(2)12/h4-12H2,1-3H3;4-7H2,1-3H3
InChIKeyLHHJXNCYOVPVCY-UHFFFAOYSA-N
MW436.64 g/mol
LogP4.01
Rot. Bonds16

About 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine

1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine (PubChem CID 159350798) has the molecular formula C24H44N4O3 and a molecular weight of 436.64 g/mol. Its IUPAC name is 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine.

Molecular Properties

Compound Name1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine
PubChem CID159350798
Molecular FormulaC24H44N4O3
Molecular Weight436.64 g/mol
Exact Mass436.34
IUPAC Name1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine
SMILESCCCCc1nc(CCCC)nc(CCCC)n1.COCCN(CC(C)=O)CC(C)=O
InChIInChI=1S/C15H27N3.C9H17NO3/c1-4-7-10-13-16-14(11-8-5-2)18-15(17-13)12-9-6-3;1-8(11)6-10(4-5-13-3)7-9(2)12/h4-12H2,1-3H3;4-7H2,1-3H3
InChIKeyLHHJXNCYOVPVCY-UHFFFAOYSA-N
XLogP4.01
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine?
The IUPAC name of 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine (CID 159350798) is 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine.
What is the SMILES notation for 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine?
The canonical SMILES for 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine is CCCCc1nc(CCCC)nc(CCCC)n1.COCCN(CC(C)=O)CC(C)=O.
What is the InChIKey of 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine?
The InChIKey is LHHJXNCYOVPVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3.C9H17NO3/c1-4-7-10-13-16-14(11-8-5-2)18-15(17-13)12-9-6-3;1-8(11)6-10(4-5-13-3)7-9(2)12/h4-12H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine?
1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine has a molecular weight of 436.64 g/mol, XLogP of 4.01, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one;2,4,6-tributyl-1,3,5-triazine is sourced from PubChem (CID 159350798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).