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

C13H24N2O3 — CID 43567769

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H24N2O3/c1-10(2)15-12(16)9-14-11-3-5-13(6-4-11)17-7-8-18-13/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyZGIHBXHFFYBEKS-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds4

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

2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide (PubChem CID 43567769) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide
PubChem CID43567769
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1CCC2(CC1)OCCO2
InChIInChI=1S/C13H24N2O3/c1-10(2)15-12(16)9-14-11-3-5-13(6-4-11)17-7-8-18-13/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyZGIHBXHFFYBEKS-UHFFFAOYSA-N
XLogP0.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide (CID 43567769) is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide?
The InChIKey is ZGIHBXHFFYBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)15-12(16)9-14-11-3-5-13(6-4-11)17-7-8-18-13/h10-11,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide?
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide has a molecular weight of 256.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 43567769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).