2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide

C16H27N3O3 — CID 2681071

IUPAC2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C16H27N3O3/c1-4-12(5-2)17-13(20)10-19-14(21)16(18-15(19)22)9-7-6-8-11(16)3/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,22)/t11-,16-/m1/s1
InChIKeyRKDIAFFGWXSKHU-BDJLRTHQSA-N
MW309.41 g/mol
LogP1.79
Rot. Bonds5

About 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide (PubChem CID 2681071) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide
PubChem CID2681071
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C16H27N3O3/c1-4-12(5-2)17-13(20)10-19-14(21)16(18-15(19)22)9-7-6-8-11(16)3/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,22)/t11-,16-/m1/s1
InChIKeyRKDIAFFGWXSKHU-BDJLRTHQSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[(2S)-butan-2-yl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940450
N-[(2R)-butan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940451
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
N-[(2R)-heptan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11929918
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid
CID 119348552
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 3900680
2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 25444061
N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 129419325
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
N-cyclohexyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2681010
N-carbamoyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703407

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide (CID 2681071) is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O.
What is the InChIKey of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide?
The InChIKey is RKDIAFFGWXSKHU-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-4-12(5-2)17-13(20)10-19-14(21)16(18-15(19)22)9-7-6-8-11(16)3/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,22)/t11-,16-/m1/s1.
What are the key properties of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide?
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide has a molecular weight of 309.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 2681071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).