3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H26N2O3 — CID 64887436

IUPAC3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1C(=O)NC2(CCCCC2)C(=O)N1CC1CCOC1
InChIInChI=1S/C16H26N2O3/c1-2-13-14(19)17-16(7-4-3-5-8-16)15(20)18(13)10-12-6-9-21-11-12/h12-13H,2-11H2,1H3,(H,17,19)
InChIKeyCGTCRYQKEQEKNJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.46
Rot. Bonds3

About 3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64887436) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64887436
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1C(=O)NC2(CCCCC2)C(=O)N1CC1CCOC1
InChIInChI=1S/C16H26N2O3/c1-2-13-14(19)17-16(7-4-3-5-8-16)15(20)18(13)10-12-6-9-21-11-12/h12-13H,2-11H2,1H3,(H,17,19)
InChIKeyCGTCRYQKEQEKNJ-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64887436) is 3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC1C(=O)NC2(CCCCC2)C(=O)N1CC1CCOC1.
What is the InChIKey of 3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is CGTCRYQKEQEKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-13-14(19)17-16(7-4-3-5-8-16)15(20)18(13)10-12-6-9-21-11-12/h12-13H,2-11H2,1H3,(H,17,19).
What are the key properties of 3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 294.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(oxolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64887436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).