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

C12H22N2O3 — CID 61211074

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide
SMILESCC(C)(NC1CCC2(CC1)OCCO2)C(N)=O
InChIInChI=1S/C12H22N2O3/c1-11(2,10(13)15)14-9-3-5-12(6-4-9)16-7-8-17-12/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeySXDDVGRRILGETE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.53
Rot. Bonds3

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

2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide (PubChem CID 61211074) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide
PubChem CID61211074
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide
SMILESCC(C)(NC1CCC2(CC1)OCCO2)C(N)=O
InChIInChI=1S/C12H22N2O3/c1-11(2,10(13)15)14-9-3-5-12(6-4-9)16-7-8-17-12/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeySXDDVGRRILGETE-UHFFFAOYSA-N
XLogP0.53
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.53
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)-2-methylpropanamide?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide (CID 61211074) is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide is CC(C)(NC1CCC2(CC1)OCCO2)C(N)=O.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide?
The InChIKey is SXDDVGRRILGETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,10(13)15)14-9-3-5-12(6-4-9)16-7-8-17-12/h9,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide?
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-methylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 0.53, 3 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)-2-methylpropanamide is sourced from PubChem (CID 61211074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).