3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione

C15H28N2O4 — CID 103414749

IUPAC3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)(C)N(CCCOCCOC)C1=O
InChIInChI=1S/C15H28N2O4/c1-6-15(4)13(19)17(14(2,3)12(18)16-15)8-7-9-21-11-10-20-5/h6-11H2,1-5H3,(H,16,18)
InChIKeyYNOMNGYKNRTMPZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.95
Rot. Bonds8

About 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione

3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione (PubChem CID 103414749) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione
PubChem CID103414749
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)(C)N(CCCOCCOC)C1=O
InChIInChI=1S/C15H28N2O4/c1-6-15(4)13(19)17(14(2,3)12(18)16-15)8-7-9-21-11-10-20-5/h6-11H2,1-5H3,(H,16,18)
InChIKeyYNOMNGYKNRTMPZ-UHFFFAOYSA-N
XLogP0.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione (CID 103414749) is 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)(C)N(CCCOCCOC)C1=O.
What is the InChIKey of 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione?
The InChIKey is YNOMNGYKNRTMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-6-15(4)13(19)17(14(2,3)12(18)16-15)8-7-9-21-11-10-20-5/h6-11H2,1-5H3,(H,16,18).
What are the key properties of 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione?
3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione has a molecular weight of 300.40 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 103414749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).