2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide

C16H27N3O3 — CID 2701771

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C16H27N3O3/c1-12(2)7-10-17-13(20)11-19-14(21)16(18-15(19)22)8-5-3-4-6-9-16/h12H,3-11H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyGQXYONQRWOYUIP-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.79
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide (PubChem CID 2701771) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide
PubChem CID2701771
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C16H27N3O3/c1-12(2)7-10-17-13(20)11-19-14(21)16(18-15(19)22)8-5-3-4-6-9-16/h12H,3-11H2,1-2H3,(H,17,20)(H,18,22)
InChIKeyGQXYONQRWOYUIP-UHFFFAOYSA-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

3-(2-Oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701874
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methoxyethyl)acetamide
CID 2088946
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
Ethyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]butanoate
CID 2578452
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
N-(1-cyanocyclohexyl)-2-{2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl}acetamide
CID 7431155
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide (CID 2701771) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is GQXYONQRWOYUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12(2)7-10-17-13(20)11-19-14(21)16(18-15(19)22)8-5-3-4-6-9-16/h12H,3-11H2,1-2H3,(H,17,20)(H,18,22).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide 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-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 2701771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).