N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide

C13H23NO3 — CID 18583811

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C13H23NO3/c1-10(2)12(15)14-8-11-9-16-13(17-11)6-4-3-5-7-13/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyXCSIKNQGLQUNCJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide (PubChem CID 18583811) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide
PubChem CID18583811
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C13H23NO3/c1-10(2)12(15)14-8-11-9-16-13(17-11)6-4-3-5-7-13/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyXCSIKNQGLQUNCJ-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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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide (CID 18583811) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide is CC(C)C(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide?
The InChIKey is XCSIKNQGLQUNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)12(15)14-8-11-9-16-13(17-11)6-4-3-5-7-13/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide 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 N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-methylpropanamide is sourced from PubChem (CID 18583811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).