N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C16H24N4O3 — CID 17455990

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H24N4O3/c1-11(2)15(3,10-17)18-12(21)9-20-13(22)16(19-14(20)23)7-5-4-6-8-16/h11H,4-9H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyQCGWWZDOCLLWGP-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.30
Rot. Bonds4

About N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 17455990) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID17455990
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H24N4O3/c1-11(2)15(3,10-17)18-12(21)9-20-13(22)16(19-14(20)23)7-5-4-6-8-16/h11H,4-9H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyQCGWWZDOCLLWGP-UHFFFAOYSA-N
XLogP1.30
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 42979278
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7618860
N-tert-butyl-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2578448
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide;hydrochloride
CID 119606902
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 17413640
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7884022
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40881936
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119570020
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid
CID 119349083
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691193
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 4879409
N-(4-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2438146

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 17455990) is N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC(C)C(C)(C#N)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is QCGWWZDOCLLWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11(2)15(3,10-17)18-12(21)9-20-13(22)16(19-14(20)23)7-5-4-6-8-16/h11H,4-9H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 17455990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).