2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide

C12H20N2O4 — CID 45000079

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20N2O4/c1-9(2)13-10(15)11(16)14-5-3-12(4-6-14)17-7-8-18-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyDIDGHBCUBCRAGP-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.12
Rot. Bonds1

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide (PubChem CID 45000079) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide
PubChem CID45000079
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20N2O4/c1-9(2)13-10(15)11(16)14-5-3-12(4-6-14)17-7-8-18-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyDIDGHBCUBCRAGP-UHFFFAOYSA-N
XLogP-0.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohexylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 1439903
n-Isopropyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34225220
N-butan-2-yl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 51077599
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 53515249
N-(2-cyanoethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 34227225
N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 45808278
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methoxypropyl)acetamide
CID 52263114
n-(2-Methoxyethyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 53525519
N-cyclopropyl-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoacetamide
CID 71850583
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 112725276
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(ethylcarbamoyl)acetamide
CID 35425630
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propyl]-N-methylacetamide
CID 53861791

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide (CID 45000079) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide?
The InChIKey is DIDGHBCUBCRAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9(2)13-10(15)11(16)14-5-3-12(4-6-14)17-7-8-18-12/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide has a molecular weight of 256.30 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 45000079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).