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

C13H24N2O3 — CID 43573998

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide
SMILESCC(NC1CCC2(CC1)OCCO2)C(=O)N(C)C
InChIInChI=1S/C13H24N2O3/c1-10(12(16)15(2)3)14-11-4-6-13(7-5-11)17-8-9-18-13/h10-11,14H,4-9H2,1-3H3
InChIKeyHBZNBJXTFXPVPV-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.74
Rot. Bonds3

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

2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide (PubChem CID 43573998) 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,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide
PubChem CID43573998
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide
SMILESCC(NC1CCC2(CC1)OCCO2)C(=O)N(C)C
InChIInChI=1S/C13H24N2O3/c1-10(12(16)15(2)3)14-11-4-6-13(7-5-11)17-8-9-18-13/h10-11,14H,4-9H2,1-3H3
InChIKeyHBZNBJXTFXPVPV-UHFFFAOYSA-N
XLogP0.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
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,N-dimethylpropanamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide (CID 43573998) is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide is CC(NC1CCC2(CC1)OCCO2)C(=O)N(C)C.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide?
The InChIKey is HBZNBJXTFXPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(12(16)15(2)3)14-11-4-6-13(7-5-11)17-8-9-18-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide?
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide has a molecular weight of 256.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 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,N-dimethylpropanamide is sourced from PubChem (CID 43573998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).