4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H26N2O2 — CID 64886290

IUPAC4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)C2(CCCCC2)NC(=O)C1CC
InChIInChI=1S/C15H26N2O2/c1-3-5-11-17-12(4-2)13(18)16-15(14(17)19)9-7-6-8-10-15/h12H,3-11H2,1-2H3,(H,16,18)
InChIKeySHRMVJNARTZPRK-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.23
Rot. Bonds4

About 4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione

4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64886290) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64886290
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)C2(CCCCC2)NC(=O)C1CC
InChIInChI=1S/C15H26N2O2/c1-3-5-11-17-12(4-2)13(18)16-15(14(17)19)9-7-6-8-10-15/h12H,3-11H2,1-2H3,(H,16,18)
InChIKeySHRMVJNARTZPRK-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64886290) is 4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CCCCN1C(=O)C2(CCCCC2)NC(=O)C1CC.
What is the InChIKey of 4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is SHRMVJNARTZPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-5-11-17-12(4-2)13(18)16-15(14(17)19)9-7-6-8-10-15/h12H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64886290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).