N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C16H27N3O3 — CID 8572074

IUPACN-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C16H27N3O3/c1-5-15(3,4)17-12(20)10-19-13(21)16(18-14(19)22)9-7-6-8-11(16)2/h11H,5-10H2,1-4H3,(H,17,20)(H,18,22)/t11-,16-/m0/s1
InChIKeyZMGKPKLPNZFBRE-ZBEGNZNMSA-N
MW309.41 g/mol
LogP1.79
Rot. Bonds4

About N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 8572074) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID8572074
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C16H27N3O3/c1-5-15(3,4)17-12(20)10-19-13(21)16(18-14(19)22)9-7-6-8-11(16)2/h11H,5-10H2,1-4H3,(H,17,20)(H,18,22)/t11-,16-/m0/s1
InChIKeyZMGKPKLPNZFBRE-ZBEGNZNMSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbutan-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8572076
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571997
N-cyclohexyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2681010
N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 25397724
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181621
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
N-(4-methylcyclohexyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7043971
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide
CID 2681071
N-(4-methylcyclohexyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7043970
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119599502

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 8572074) is N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCC(C)(C)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is ZMGKPKLPNZFBRE-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-5-15(3,4)17-12(20)10-19-13(21)16(18-14(19)22)9-7-6-8-11(16)2/h11H,5-10H2,1-4H3,(H,17,20)(H,18,22)/t11-,16-/m0/s1.
What are the key properties of N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 8572074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).