5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione

C14H22N2O5 — CID 115947273

IUPAC5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
SMILESCOCCOCCN1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C14H22N2O5/c1-20-8-9-21-7-6-16-13(18)11(10-4-2-3-5-10)12(17)15-14(16)19/h10-11H,2-9H2,1H3,(H,15,17,19)
InChIKeyFTJKRLXIDJWDBL-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.53
Rot. Bonds7

About 5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione

5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 115947273) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
PubChem CID115947273
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
SMILESCOCCOCCN1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C14H22N2O5/c1-20-8-9-21-7-6-16-13(18)11(10-4-2-3-5-10)12(17)15-14(16)19/h10-11H,2-9H2,1H3,(H,15,17,19)
InChIKeyFTJKRLXIDJWDBL-UHFFFAOYSA-N
XLogP0.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione (CID 115947273) is 5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione is COCCOCCN1C(=O)NC(=O)C(C2CCCC2)C1=O.
What is the InChIKey of 5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is FTJKRLXIDJWDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-20-8-9-21-7-6-16-13(18)11(10-4-2-3-5-10)12(17)15-14(16)19/h10-11H,2-9H2,1H3,(H,15,17,19).
What are the key properties of 5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione?
5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 298.34 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115947273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).