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

C18H30N4O3 — CID 46982582

IUPACN-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCCCCC1=NC2(CCN(C(=O)C(NC(C)=O)C(C)C)CC2)C(=O)N1
InChIInChI=1S/C18H30N4O3/c1-5-6-7-14-20-17(25)18(21-14)8-10-22(11-9-18)16(24)15(12(2)3)19-13(4)23/h12,15H,5-11H2,1-4H3,(H,19,23)(H,20,21,25)
InChIKeyCTVSCTIYTNRZTF-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.23
Rot. Bonds6

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

N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 46982582) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID46982582
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCCCCC1=NC2(CCN(C(=O)C(NC(C)=O)C(C)C)CC2)C(=O)N1
InChIInChI=1S/C18H30N4O3/c1-5-6-7-14-20-17(25)18(21-14)8-10-22(11-9-18)16(24)15(12(2)3)19-13(4)23/h12,15H,5-11H2,1-4H3,(H,19,23)(H,20,21,25)
InChIKeyCTVSCTIYTNRZTF-UHFFFAOYSA-N
XLogP1.23
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(4-methylpiperazin-1-yl)carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46999670
Methyl 2-(3-methylbutyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 50954799
2-(3-Methylbutyl)-8-[3-(2-oxopiperidin-1-yl)propanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46985749
2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46985220
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
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
(8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione
CID 139055047
2-Methyl-8-(4,4,4-trifluorobutanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 145937615

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide (CID 46982582) is N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide is CCCCC1=NC2(CCN(C(=O)C(NC(C)=O)C(C)C)CC2)C(=O)N1.
What is the InChIKey of N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is CTVSCTIYTNRZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-5-6-7-14-20-17(25)18(21-14)8-10-22(11-9-18)16(24)15(12(2)3)19-13(4)23/h12,15H,5-11H2,1-4H3,(H,19,23)(H,20,21,25).
What are the key properties of N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 46982582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).