2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

C16H28N4O2 — CID 170592315

IUPAC2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCCCC1=NC2(CCN(C(=O)NC)CC2)C(=O)N1C(C)C
InChIInChI=1S/C16H28N4O2/c1-5-6-7-13-18-16(14(21)20(13)12(2)3)8-10-19(11-9-16)15(22)17-4/h12H,5-11H2,1-4H3,(H,17,22)
InChIKeyLFKGEKSURZAHFZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.00
Rot. Bonds4

About 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 170592315) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound Name2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID170592315
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCCCC1=NC2(CCN(C(=O)NC)CC2)C(=O)N1C(C)C
InChIInChI=1S/C16H28N4O2/c1-5-6-7-13-18-16(14(21)20(13)12(2)3)8-10-19(11-9-16)15(22)17-4/h12H,5-11H2,1-4H3,(H,17,22)
InChIKeyLFKGEKSURZAHFZ-UHFFFAOYSA-N
XLogP2.00
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide with MolForge

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Related Compounds

2-(3-Methylbutyl)-8-[(4-methylpiperazin-1-yl)carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46999670
2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46985220
2-Butyl-3-ethyl-8-(2-fluoro-2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592013
2-Butyl-8-(3-fluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592472
2-Butyl-8-(2-fluoro-2-methylpropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592509
N-{1-[(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)carbonyl]-2-methylpropyl}acetamide
CID 46982582
N-ethyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 50953560
N-((4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)methyl)acetamide
CID 57908095
2-Methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70995660
2-Propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 86277609
2-(1-Acetylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 117745840
2-Propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 117745860

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 170592315) is 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is CCCCC1=NC2(CCN(C(=O)NC)CC2)C(=O)N1C(C)C.
What is the InChIKey of 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is LFKGEKSURZAHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-6-7-13-18-16(14(21)20(13)12(2)3)8-10-19(11-9-16)15(22)17-4/h12H,5-11H2,1-4H3,(H,17,22).
What are the key properties of 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methyl-4-oxo-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 170592315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).