8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C16H28N2O3 — CID 106459063

IUPAC8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCOCCN1C(=O)C2(CCCC2)NC(=O)C1(C)CC
InChIInChI=1S/C16H28N2O3/c1-4-11-21-12-10-18-14(20)16(8-6-7-9-16)17-13(19)15(18,3)5-2/h4-12H2,1-3H3,(H,17,19)
InChIKeyBHAOHGZQVSGSKW-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.85
Rot. Bonds6

About 8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione

8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 106459063) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID106459063
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESCCCOCCN1C(=O)C2(CCCC2)NC(=O)C1(C)CC
InChIInChI=1S/C16H28N2O3/c1-4-11-21-12-10-18-14(20)16(8-6-7-9-16)17-13(19)15(18,3)5-2/h4-12H2,1-3H3,(H,17,19)
InChIKeyBHAOHGZQVSGSKW-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 106459063) is 8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is CCCOCCN1C(=O)C2(CCCC2)NC(=O)C1(C)CC.
What is the InChIKey of 8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is BHAOHGZQVSGSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-11-21-12-10-18-14(20)16(8-6-7-9-16)17-13(19)15(18,3)5-2/h4-12H2,1-3H3,(H,17,19).
What are the key properties of 8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 296.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 106459063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).