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

C13H23NO3 — CID 102852256

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO3/c1-10(2)14-12(15)9-11-3-5-13(6-4-11)16-7-8-17-13/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPMOWSVBFMCMVTC-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds3

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

2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide (PubChem CID 102852256) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide
PubChem CID102852256
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H23NO3/c1-10(2)14-12(15)9-11-3-5-13(6-4-11)16-7-8-17-13/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPMOWSVBFMCMVTC-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide
CID 43567769
N-cyclopentyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 102852259
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-prop-2-enylacetamide
CID 102852267
N-propan-2-yl-2-(thian-4-yl)acetamide
CID 80708318
N-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 125142021
N-propan-2-yl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47236079
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 102852264
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methoxy-N-methylacetamide
CID 102852254
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide (CID 102852256) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide?
The InChIKey is PMOWSVBFMCMVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)14-12(15)9-11-3-5-13(6-4-11)16-7-8-17-13/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide has a molecular weight of 241.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 102852256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).