N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C16H27N3O3 — CID 9401000

IUPACN-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCCN(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C16H27N3O3/c1-4-5-10-18(3)13(20)11-19-14(21)16(17-15(19)22)8-6-12(2)7-9-16/h12H,4-11H2,1-3H3,(H,17,22)
InChIKeyVRCKYVQMZIKGCO-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.75
Rot. Bonds5

About N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 9401000) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID9401000
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCCN(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C16H27N3O3/c1-4-5-10-18(3)13(20)11-19-14(21)16(17-15(19)22)8-6-12(2)7-9-16/h12H,4-11H2,1-3H3,(H,17,22)
InChIKeyVRCKYVQMZIKGCO-UHFFFAOYSA-N
XLogP1.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Methyl-1,3-diazaspiro(4.5)decane-2,4-dione
CID 12817
1,3-Diazaspiro(4.5)decane-2,4-dione, 1-methyl-
CID 13423
1,3-Diazaspiro(4.5)decane-2,4-dione, 3-methyl-
CID 12816
3-(2-Oxo-2-piperidin-1-ylethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701874
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 24982857
3-(Chloromethyl)-2-hydroxy-1,3-diazaspiro(4.5)dec-1-en-4-one
CID 120427
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4682145
Methyl 1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 2085375
8-Methyl-3-(2-morpholino-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2425574
N-(2-methylcyclohexyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4192869
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4410214
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 9401000) is N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCCCN(C)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O.
What is the InChIKey of N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is VRCKYVQMZIKGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-4-5-10-18(3)13(20)11-19-14(21)16(17-15(19)22)8-6-12(2)7-9-16/h12H,4-11H2,1-3H3,(H,17,22).
What are the key properties of N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 9401000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).