6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide

C16H22N4O2 — CID 131645592

IUPAC6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCCN1CC(=O)NCC12CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C16H22N4O2/c1-2-20-10-14(21)17-11-16(20)8-9-19(12-16)15(22)18-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,21)(H,18,22)
InChIKeyHWUMIXAXKPOTMH-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.11
Rot. Bonds2

About 6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide

6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide (PubChem CID 131645592) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
PubChem CID131645592
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCCN1CC(=O)NCC12CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C16H22N4O2/c1-2-20-10-14(21)17-11-16(20)8-9-19(12-16)15(22)18-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,21)(H,18,22)
InChIKeyHWUMIXAXKPOTMH-UHFFFAOYSA-N
XLogP1.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide (CID 131645592) is 6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide is CCN1CC(=O)NCC12CCN(C(=O)Nc1ccccc1)C2.
What is the InChIKey of 6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The InChIKey is HWUMIXAXKPOTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-20-10-14(21)17-11-16(20)8-9-19(12-16)15(22)18-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 131645592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).