2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide

C17H29N3O3 — CID 2583648

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C17H29N3O3/c1-3-13(4-2)18-14(21)12-20-15(22)17(19-16(20)23)10-8-6-5-7-9-11-17/h13H,3-12H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyJOXKLLFCUXJDBN-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.33
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide (PubChem CID 2583648) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide
PubChem CID2583648
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C17H29N3O3/c1-3-13(4-2)18-14(21)12-20-15(22)17(19-16(20)23)10-8-6-5-7-9-11-17/h13H,3-12H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyJOXKLLFCUXJDBN-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.33
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

1,3-Diazaspiro(4.7)dodecane-2,4-dione
CID 95195
3-(2-Oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701874
N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2578480
N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4192869
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N,N-di(propan-2-yl)acetamide
CID 2578454
3-[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701873
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 4178426
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide
CID 4875698
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 16305220
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 2998058
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 7043957
2-Butyl-6-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 46933614

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide (CID 2583648) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide?
The InChIKey is JOXKLLFCUXJDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-3-13(4-2)18-14(21)12-20-15(22)17(19-16(20)23)10-8-6-5-7-9-11-17/h13H,3-12H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide has a molecular weight of 323.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 2583648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).