N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide

C19H32N4O3 — CID 46991213

IUPACN-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC2(CC1)N=C(C(C)(C)C)NC2=O
InChIInChI=1S/C19H32N4O3/c1-12(2)11-14(20-13(3)24)15(25)23-9-7-19(8-10-23)17(26)21-16(22-19)18(4,5)6/h12,14H,7-11H2,1-6H3,(H,20,24)(H,21,22,26)/t14-/m0/s1
InChIKeyQKLBANIIFVTJTR-AWEZNQCLSA-N
MW364.49 g/mol
LogP1.47
Rot. Bonds4

About N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide

N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide (PubChem CID 46991213) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide
PubChem CID46991213
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC2(CC1)N=C(C(C)(C)C)NC2=O
InChIInChI=1S/C19H32N4O3/c1-12(2)11-14(20-13(3)24)15(25)23-9-7-19(8-10-23)17(26)21-16(22-19)18(4,5)6/h12,14H,7-11H2,1-6H3,(H,20,24)(H,21,22,26)/t14-/m0/s1
InChIKeyQKLBANIIFVTJTR-AWEZNQCLSA-N
XLogP1.47
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide with MolForge

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Related Compounds

2-(3-Methylbutyl)-8-[(2-oxopyrrolidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46991451
2-(3-Methylbutyl)-8-(4-oxopentanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46992235
2-(3-Methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46985749
8-[(2S)-1-(azepan-1-yl)propan-2-yl]-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 95047136
(8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione
CID 139055047
N-{1-[(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)carbonyl]-2-methylpropyl}acetamide
CID 46982582
8-[(1-Ethyl-6-oxopiperidin-3-yl)carbonyl]-2-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46982807
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 57844064
N-((4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)methyl)acetamide
CID 57908095
2-Tert-butyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66827413
3-Ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 71103884
2-(1-Acetylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 117745840

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide (CID 46991213) is N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide is CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC2(CC1)N=C(C(C)(C)C)NC2=O.
What is the InChIKey of N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide?
The InChIKey is QKLBANIIFVTJTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-12(2)11-14(20-13(3)24)15(25)23-9-7-19(8-10-23)17(26)21-16(22-19)18(4,5)6/h12,14H,7-11H2,1-6H3,(H,20,24)(H,21,22,26)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide?
N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 46991213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).