2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one

C17H31N3O2 — CID 91633691

IUPAC2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCCC(=O)N1CCC2(CC1)NC(CC(C)C)C(=O)N2C(C)C
InChIInChI=1S/C17H31N3O2/c1-6-15(21)19-9-7-17(8-10-19)18-14(11-12(2)3)16(22)20(17)13(4)5/h12-14,18H,6-11H2,1-5H3
InChIKeyQAZNQYQPEXSFMD-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.97
Rot. Bonds4

About 2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one

2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 91633691) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID91633691
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCCC(=O)N1CCC2(CC1)NC(CC(C)C)C(=O)N2C(C)C
InChIInChI=1S/C17H31N3O2/c1-6-15(21)19-9-7-17(8-10-19)18-14(11-12(2)3)16(22)20(17)13(4)5/h12-14,18H,6-11H2,1-5H3
InChIKeyQAZNQYQPEXSFMD-UHFFFAOYSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one (CID 91633691) is 2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one is CCC(=O)N1CCC2(CC1)NC(CC(C)C)C(=O)N2C(C)C.
What is the InChIKey of 2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is QAZNQYQPEXSFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-6-15(21)19-9-7-17(8-10-19)18-14(11-12(2)3)16(22)20(17)13(4)5/h12-14,18H,6-11H2,1-5H3.
What are the key properties of 2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one?
2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 309.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91633691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).