8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C16H26N2O3 — CID 64886460

IUPAC8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC1C(=O)NC2(CCCC2)C(=O)N1CC1CCOCC1
InChIInChI=1S/C16H26N2O3/c1-2-13-14(19)17-16(7-3-4-8-16)15(20)18(13)11-12-5-9-21-10-6-12/h12-13H,2-11H2,1H3,(H,17,19)
InChIKeyFILJUTRXWJFWRS-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.46
Rot. Bonds3

About 8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 64886460) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID64886460
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCC1C(=O)NC2(CCCC2)C(=O)N1CC1CCOCC1
InChIInChI=1S/C16H26N2O3/c1-2-13-14(19)17-16(7-3-4-8-16)15(20)18(13)11-12-5-9-21-10-6-12/h12-13H,2-11H2,1H3,(H,17,19)
InChIKeyFILJUTRXWJFWRS-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 8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 64886460) is 8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CCC1C(=O)NC2(CCCC2)C(=O)N1CC1CCOCC1.
What is the InChIKey of 8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is FILJUTRXWJFWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-13-14(19)17-16(7-3-4-8-16)15(20)18(13)11-12-5-9-21-10-6-12/h12-13H,2-11H2,1H3,(H,17,19).
What are the key properties of 8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-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 8-ethyl-9-(oxan-4-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 64886460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).